Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00641
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| Drug Name |
Genistein
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| Synonyms |
4 inverted exclamation marka,5,7-Trihydroxyisoflavone; 4′,5,7-Trihydroxyisoflavone; 4',5, 7-Trihydroxyisoflavone; 4',5,7-Trihydroxy isoflavone; 4',5,7-Trihydroxyisoflavone; 4,5,7-Trihydroxyiso-flavone; 4,6,7-Trihydroxyisoflavone; 5,7,4'-Trihydroxyisoflavone; 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone; 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one; 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one; Bonistein; C.I. 75610; Differenol A; ENDOCRINE DISRUPTOR (GENISTEIN) (SEE ALSO GENISTEIN (446-72-0)); G 6649; G10000; GEN; GENISTEIN (ENDOCRINE DISRUPTER); Genestein; Genisteol; Genisterin; IN1327; Lactoferrin-genistein; NPI 031L; PTI G4660 (Genistein); PTI-G4660; Prunetol; SIPI 807-1; SIPI-9764-I; STO514; Sophoricol; TNP00151
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| Drug Type |
Small molecular drug
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| Indication | Prostate cancer [ICD11:2C82] | Phase 2 | [1] | |||
| Structure |
|
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| 3D MOL | 2D MOL | |||||
| Formula |
C15H10O5
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| Canonical SMILES |
C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O
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| InChI |
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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| InChIKey |
TZBJGXHYKVUXJN-UHFFFAOYSA-N
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| CAS Number |
CAS 446-72-0
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| Pharmaceutical Properties | Molecular Weight | 270.24 | Topological Polar Surface Area | 87 | ||
| Heavy Atom Count | 20 | Rotatable Bond Count | 1 | |||
| Hydrogen Bond Donor Count | 3 | Hydrogen Bond Acceptor Count | 5 | |||
| XLogP |
2.7
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| PubChem CID | ||||||
| PubChem SID |
10318994
,11111233
,11111234
,11113921
,11114608
,11120325
,11120813
,11121301
,11341576
,11361759
,11363214
,11364972
,11365776
,11367534
,11368338
,11370096
,11371695
,11373135
,11375144
,11375696
,11376500
,11378267
,11404364
,11407761
,11484372
,11487161
,11488454
,11490494
,11493357
,11494134
,15197341
,17389520
,17405083
,22391506
,24278036
,24895273
,25622056
,26527427
,3153130
,4652582
,606653
,640215
,7887819
,8138208
,8144401
,854585
,854586
,8616462
,8792
,93197
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| ChEBI ID |
ChEBI:28088
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | BCRP | Transporter Info | Breast cancer resistance protein | Substrate | [2] | |
| References | ||||||
| 1 | ClinicalTrials.gov (NCT02624388) Study of Genistein in Pediatric Oncology Patients (UVA-Gen001) (UVA-Gen001) | |||||
| 2 | Differential selectivity of efflux transporter inhibitors in Caco-2 and MDCK-MDR1 monolayers: a strategy to assess the interaction of a new chemical entity with P-gp, BCRP, and MRP2. J Pharm Sci. 2012 May;101(5):1888-97. | |||||
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