caption
stringlengths 0
3.92k
| molecule
stringlengths 1
914
| properties
sequencelengths 1
113
| additional_data
dict |
|---|---|---|---|
C1COCCN1CCOC2=CC=C(C=C2)C3=CN=C(C=C3)CC(=O)NCC4=CC=CC=C4 | [
"Mystery Molecule"
] | {
"Actives": "tirbanibulin",
"Approval Date": "12/14/2020",
"Brand Name": "Klisyri",
"Indication": "To treat actinic Keratosis of the face or scalp",
"PubChem CIDs": [
"23635314"
]
} |
|
C1CC1CNC(C2=CC(=C(C=C2)F)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F)C5=CC=CC(=C5)C#N | [
"Mystery Molecule"
] | {
"Actives": "berotralstat",
"Approval Date": "12/3/2020",
"Brand Name": "Orladeyo",
"Indication": "To treat patients with hereditary angioedema",
"PubChem CIDs": [
"137528262"
]
} |
|
[H+].C1=CC(=C(C=C1CCC(=O)NCCCCCC(=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)CN(CCN(CC2=C(C=CC(=C2)CCC(=O)O)[O-])CC(=O)[O-])CC(=O)[O-])[O-].[Ga+3] | [
"Mystery Molecule"
] | {
"Actives": "Gallium 68 PSMA-11",
"Approval Date": "12/1/2020",
"Brand Name": "Gallium 68 PSMA-11",
"Indication": "For detection and localization of prostate cancer",
"PubChem CIDs": [
"154572876"
]
} |
|
CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)N1)NC(=O)C(CCCN=C(N)N)NC(=O)C)C(=O)N)CC2=CNC3=CC=CC=C32)CCCN=C(N)N)CC4=CC=CC=C4)CC5=CN=CN5 | [
"Mystery Molecule"
] | {
"Actives": "setmelanotide",
"Approval Date": "11/25/2020",
"Brand Name": "Imcivree",
"Indication": "To treat obesity and the control of hunger associated with pro-opiomelanocortin deficiency, a rare disorder that causes severe obesity that begins at an early age",
"PubChem CIDs": [
"11993702"
]
} |
|
C1CN(CCC1CC(=O)N2CCC(CC2)C3C4=C(CCC5=C3N=CC(=C5)Br)C=C(C=C4Br)Cl)C(=O)N | [
"Mystery Molecule"
] | {
"Actives": "lonafarnib",
"Approval Date": "11/20/2020",
"Brand Name": "Zokinvy",
"Indication": "To treat rare conditions related to premature aging",
"PubChem CIDs": [
"148195"
]
} |
|
CCC(CC)COC(=O)C(C)NP(=O)(OCC1C(C(C(O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O)OC4=CC=CC=C4 | [
"Mystery Molecule"
] | {
"Actives": "remdesivir",
"Approval Date": "10/22/2020",
"Brand Name": "Veklury",
"Indication": "To treat COVID-19",
"PubChem CIDs": [
"121304016"
]
} |
|
CC1=CC(=NN1)NC2=NC(=NC(=C2)C)C3CCC(CC3)(C(=O)NC(C)C4=CN=C(C=C4)N5C=C(C=N5)F)OC | [
"Mystery Molecule"
] | {
"Actives": "pralsetinib",
"Approval Date": "9/4/2020",
"Brand Name": "Gavreto",
"Indication": "To treat non-small lung cancer",
"PubChem CIDs": [
"129073603"
]
} |
|
CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=CC=C5)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)[O-])CC(=O)[O-])CC(=O)O)C(=O)NC(C(C)O)C(=O)O)O.[Cu+2] | [
"Mystery Molecule"
] | {
"Actives": "copper Cu 64 dotatate injection",
"Approval Date": "9/3/2020",
"Brand Name": "Detectnet",
"Indication": "To help detect certain types of neuroendocrine tumors",
"PubChem CIDs": [
"124220636"
]
} |
|
C=C(CCCCCCCCCCCCCCCC1=NNN=N1)NS(=O)(=O)CCCC(=O)NCCOCCOCC(=O)NC(CCC(=O)NC(CCC(=O)NCCOCCOCC(=O)NC(CCCCNC(=O)CSCC(C(=O)O)N)C(=O)N)C(=O)O)C(=O)O | [
"Mystery Molecule"
] | {
"Actives": "somapacitan-beco",
"Approval Date": "8/28/2020",
"Brand Name": "Sogroya",
"Indication": "Growth hormone",
"PubChem CIDs": [
"122197536"
]
} |
|
CCC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(=O)CO | [
"Mystery Molecule"
] | {
"Actives": "clascoterone",
"Approval Date": "8/26/2020",
"Brand Name": "Winlevi",
"Indication": "To treat acne",
"PubChem CIDs": [
"11750009"
]
} |
|
CC1=CN(C(=O)NC1=O)C2CN(CC(O2)COP(=O)(N3CC(OC(C3)N4C=C(C(=O)NC4=O)C)COP(=O)(N5CC(OC(C5)N6C=NC7=C6N=C(NC7=O)N)COP(=O)(N8CC(OC(C8)N9C=C(C(=O)NC9=O)C)COP(=O)(N1CC(OC(C1)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(N1CC(OC(C1)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(N1CC(OC(C1)N1C=NC2=C(N=CN=C21)N)COP(=O)(N1CC(OC(C1)N1C=NC2=C(N=CN=C21)N)COP(=O)(N1CC(OC(C1)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(N1CC(OC(C1)N1C=C(C(=O)NC1=O)C)COP(=O)(N1CC(OC(C1)N1C=CC(=NC1=O)N)COP(=O)(N1CC(OC(C1)N1C=C(C(=O)NC1=O)C)COP(=O)(N1CC(OC(C1)N1C=C(C(=O)NC1=O)C)COP(=O)(N1CC(OC(C1)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(N1CC(OC(C1)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(N1CC(OC(C1)N1C=CC(=NC1=O)N)COP(=O)(N1CC(OC(C1)N1C=CC(=NC1=O)N)COP(=O)(N1CC(OC(C1)N1C=C(C(=O)NC1=O)C)COP(=O)(N1CC(OC(C1)N1C=CC(=NC1=O)N)COP(=O)(N1CC(OC(C1)N1C=CC(=NC1=O)N)CO)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)P(=O)(N(C)C)OCC1CNCC(O1)N1C=CC(=NC1=O)N | [
"Mystery Molecule"
] | {
"Actives": "viltolarsen",
"Approval Date": "8/12/2020",
"Brand Name": "Viltepso",
"Indication": "To treat Duchenne muscular dystrophy",
"PubChem CIDs": [
"154562176"
]
} |
|
COC1=C(SC=C1)CNCCC2(CCOC3(C2)CCCC3)C4=CC=CC=N4 | [
"Mystery Molecule"
] | {
"Actives": "oliceridine",
"Approval Date": "8/7/2020",
"Brand Name": "Olinvyk",
"Indication": "To manage acute pain in certain adults",
"PubChem CIDs": [
"66553195"
]
} |
|
CC1=CC(=NN2C1=NC(=C2)C)C3=CC(=O)N4C=C(C=CC4=N3)N5CCNC6(C5)CC6 | [
"Mystery Molecule"
] | {
"Actives": "risdiplam",
"Approval Date": "8/7/2020",
"Brand Name": "Evrysdi",
"Indication": "To treat spinal muscular atrophy",
"PubChem CIDs": [
"118513932"
]
} |
|
CC1CS(=O)(=O)CCN1N=CC2=CC=C(O2)[N+](=O)[O-] | [
"Mystery Molecule"
] | {
"Actives": "nifurtimox",
"Approval Date": "8/6/2020",
"Brand Name": "Lampit",
"Indication": "To treat Chagas disease in certain pediatric patients younger than age 18",
"PubChem CIDs": [
"6842999"
]
} |
|
CC1=CN=C(C=C1)C2=NC=C(C=C2)C | [
"Mystery Molecule"
] | {
"Actives": "abametapir",
"Approval Date": "7/24/2020",
"Brand Name": "Xeglyze",
"Indication": "To treat head lice",
"PubChem CIDs": [
"15664"
]
} |
|
C1C(C(OC1N2C=NC(=NC2=O)N)CO)O.C1CN(C(=O)NC1O)C2C(C(C(O2)CO)O)(F)F | [
"Mystery Molecule"
] | {
"Actives": "decitabine and cedazuridine",
"Approval Date": "7/7/2020",
"Brand Name": "Inqovi",
"Indication": "To treat adult patients with myelodysplastic syndromes",
"PubChem CIDs": [
"451668",
"25267009"
]
} |
|
CC1=NN(C=N1)C2=NC=C(C3=C2N(C=C3C(=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5)COP(=O)(O)O)OC | [
"Mystery Molecule"
] | {
"Actives": "fostemsavir",
"Approval Date": "7/2/2020",
"Brand Name": "Rukobia",
"Indication": "To treat HIV",
"PubChem CIDs": [
"11319217"
]
} |
|
CC1=CN=C2N1C3=C(C=C(C=C3)Br)C(=NC2CCC(=O)OC)C4=CC=CC=N4 | [
"Mystery Molecule"
] | {
"Actives": "remimazolam",
"Approval Date": "7/2/2020",
"Brand Name": "Byfavo",
"Indication": "For sedation",
"PubChem CIDs": [
"9867812"
]
} |
|
CCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCC | [
"Mystery Molecule"
] | {
"Actives": "triheptanoin",
"Approval Date": "6/30/2020",
"Brand Name": "Dojolvi",
"Indication": "To treat molecularly long-chain fatty acid oxidation disorders",
"PubChem CIDs": [
"69286"
]
} |
|
CC1=CC2=C(C3C4C5C6=C(C(=C7C(=C6C(N4C(C(C2)N3C)O)COC(=O)C8(CS5)C9=C(CCN8)C2=C(N9)C=CC(=C2)OC)OCO7)C)OC(=O)C)C(=C1OC)O | [
"Mystery Molecule"
] | {
"Actives": "lurbinectedin",
"Approval Date": "6/15/2020",
"Brand Name": "Zepzelca",
"Indication": "To treat metastatic small cell lung cancer",
"PubChem CIDs": [
"57327016"
]
} |
|
C1=CC2=C(C=C1C3=CN=C(C=C3)F)NC4=C2C=NC=C4 | [
"Mystery Molecule"
] | {
"Actives": "flortaucipir F18",
"Approval Date": "5/28/2020",
"Brand Name": "Tauvid",
"Indication": "Diagnostic agent for patients with Alzheimer’s disease",
"PubChem CIDs": [
"70957463"
]
} |
|
CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC(=O)CCC(=O)O)C | [
"Mystery Molecule"
] | {
"Actives": "artesunate",
"Approval Date": "5/26/2020",
"Brand Name": "Artesunate",
"Indication": "To treat severe malaria",
"PubChem CIDs": [
"6917864"
]
} |
|
CC12CCC3C(C1CC(C2O)F)CCC4=C3C=CC(=C4)O | [
"Mystery Molecule"
] | {
"Actives": "fluoroestradiol F18",
"Approval Date": "5/20/2020",
"Brand Name": "Cerianna",
"Indication": "Diagnostic imaging agent for certain patients with breast cancer",
"PubChem CIDs": [
"10869981"
]
} |
|
CCN1C2=CC(=NC=C2C=C(C1=O)C3=CC(=C(C=C3Br)F)NC(=O)NC4=CC=CC=C4)NC | [
"Mystery Molecule"
] | {
"Actives": "ripretinib",
"Approval Date": "5/15/2020",
"Brand Name": "Qinlock",
"Indication": "To treat advanced gastrointestinal-stromal tumors",
"PubChem CIDs": [
"71584930"
]
} |
|
CC(C)(COC1=CN2C(=C(C=N2)C#N)C(=C1)C3=CN=C(C=C3)N4CC5CC(C4)N5CC6=CN=C(C=C6)OC)O | [
"Mystery Molecule"
] | {
"Actives": "selpercatinib",
"Approval Date": "5/8/2020",
"Brand Name": "Retevmo",
"Indication": "To treat lung and thyroid cancers",
"PubChem CIDs": [
"134436906"
]
} |
|
CNC(=O)C1=C(C=C(C=C1)C2=NN3C(=CN=C3N=C2)CC4=CC5=C(C=C4)N=CC=C5)F | [
"Mystery Molecule"
] | {
"Actives": "capmatinib",
"Approval Date": "5/6/2020",
"Brand Name": "Tabrecta",
"Indication": "To treat patients with non small cell lung cancer",
"PubChem CIDs": [
"25145656"
]
} |
|
CC1=C(C(=[N+](C(=C1Cl)C)[O-])Cl)C2=NOC(=N2)C3=CC(=C(C(=C3)O)O)[N+](=O)[O-] | [
"Mystery Molecule"
] | {
"Actives": "opicapone",
"Approval Date": "4/24/2020",
"Brand Name": "Ongentys",
"Indication": "To treat patients with Parkinson’s disease experiencing “off” episodes",
"PubChem CIDs": [
"135565903"
]
} |
|
CCN1C2=C3C=C(NC3=NC=C2CN(C1=O)C4=C(C(=CC(=C4F)OC)OC)F)CN5CCOCC5 | [
"Mystery Molecule"
] | {
"Actives": "pemigatinib",
"Approval Date": "4/17/2020",
"Brand Name": "Pemazyre",
"Indication": "To treat certain patients with cholangiocarcinoma, a rare form of cancer that forms in bile ducts",
"PubChem CIDs": [
"86705695"
]
} |
|
CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)NC4=NC(CO4)(C)C)OC5=CC6=NC=NN6C=C5 | [
"Mystery Molecule"
] | {
"Actives": "tucatinib",
"Approval Date": "4/17/2020",
"Brand Name": "Tukysa",
"Indication": "To treat advanced unresectable or metastatic HER2-positive breast cancer",
"PubChem CIDs": [
"51039094"
]
} |
|
CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO | [
"Mystery Molecule"
] | {
"Actives": "selumetinib",
"Approval Date": "4/10/2020",
"Brand Name": "Koselugo",
"Indication": "To treat neurofibromatosis type 1, a genetic disorder of the nervous system causing tumors to grow on nerves",
"PubChem CIDs": [
"10127622"
]
} |
|
CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CCC(C4=CC=C3)NCCO)C#N | [
"Mystery Molecule"
] | {
"Actives": "ozanimod",
"Approval Date": "3/25/2020",
"Brand Name": "Zeposia",
"Indication": "To treat relapsing forms of multiple sclerosis",
"PubChem CIDs": [
"52938427"
]
} |
|
C1CC2=CN=CN2C1C3=C(C=C(C=C3)C#N)F | [
"Mystery Molecule"
] | {
"Actives": "osilodrostat",
"Approval Date": "3/6/2020",
"Brand Name": "Isturisa",
"Indication": "To treat adults with Cushing’s disease who either cannot undergo pituitary gland surgery or have undergone the surgery but still have the disease",
"PubChem CIDs": [
"44139752"
]
} |
|
C1CC(C2=C(C=CC=N2)C(C1C3=C(C(=CC=C3)F)F)N)OC(=O)N4CCC(CC4)N5C6=C(NC5=O)N=CC=C6 | [
"Mystery Molecule"
] | {
"Actives": "rimegepant",
"Approval Date": "2/27/2020",
"Brand Name": "Nurtec ODT",
"Indication": "To treat migraine",
"PubChem CIDs": [
"51049968"
]
} |
|
CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC | [
"Mystery Molecule"
] | {
"Actives": "amisulpride",
"Approval Date": "2/26/2020",
"Brand Name": "Barhemsys",
"Indication": "To help prevent nausea and vomiting after surgery",
"PubChem CIDs": [
"2159"
]
} |
|
CC(C)(CCCCCC(CCCCCC(C)(C)C(=O)O)O)C(=O)O | [
"Mystery Molecule"
] | {
"Actives": "bempedoic acid",
"Approval Date": "2/21/2020",
"Brand Name": "Nexletol",
"Indication": "To treat adults with heterozygous familial hypercholesterolemia or established atherosclerotic cardiovascular disease who require additional lowering of LDL-C",
"PubChem CIDs": [
"10472693"
]
} |
|
C(C1C(C(C(C(O1)OC(C(CO)O)C(C(CO)O)O)O)O)O)O | [
"Mystery Molecule"
] | {
"Actives": "lactitol",
"Approval Date": "2/12/2020",
"Brand Name": "Pizensy",
"Indication": "To treat chronic idiopathic constipation (CIC) in adults",
"PubChem CIDs": [
"157355"
]
} |
|
CCN(C1CCOCC1)C2=CC(=CC(=C2C)C(=O)NCC3=C(C=C(NC3=O)C)C)C4=CC=C(C=C4)CN5CCOCC5 | [
"Mystery Molecule"
] | {
"Actives": "tazemetostat",
"Approval Date": "1/23/2020",
"Brand Name": "Tazverik",
"Indication": "To treat epithelioid sarcoma",
"PubChem CIDs": [
"66558664"
]
} |
|
CC(C1=CC=C(C=C1)F)(C2=CN=C(N=C2)N3CCN(CC3)C4=NC=NN5C4=CC(=C5)C6=CN(N=C6)C)N | [
"Mystery Molecule"
] | {
"Actives": "avapritinib",
"Approval Date": "1/9/2020",
"Brand Name": "Ayvakit",
"Indication": "To treat adults with unresectable or metastatic gastrointestinal stromal tumor (GIST)",
"PubChem CIDs": [
"118023034"
]
} |
|
CC12CCC(=O)C=C1C3CC3C4C2CCC5(C4C6CC6C57CCC(=O)O7)C.CC12CCC3C(C1C(C(C2O)O)O)CCC4=C3C=CC(=C4)O | [
"Mystery Molecule"
] | {
"Actives": "drospirenone and estetrol",
"Approval Date": "4/15/2021",
"Brand Name": "Nextstellis",
"Indication": "To prevent pregnancy",
"PubChem CIDs": [
"68873",
"27125"
]
} |
|
CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=CC(=O)C(NCCS(=O)(=O)O)=CC1=O | [
"Mystery Molecule"
] | {
"Actives": null,
"Approval Date": null,
"Brand Name": null,
"Indication": null,
"PubChem CIDs": null
} |
|
CC1=CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]1Cc1cc(C(=O)O)ccc1O | [
"Mystery Molecule"
] | {
"Actives": null,
"Approval Date": null,
"Brand Name": null,
"Indication": null,
"PubChem CIDs": null
} |
|
[Br-].CCCCCCCCCCCCCCCC[n+]1ccccc1 | [
"Mystery Molecule"
] | {
"Actives": null,
"Approval Date": null,
"Brand Name": null,
"Indication": null,
"PubChem CIDs": null
} |
Subsets and Splits