Details of the Drug

General Information of Drug (ID: DM3KXMG)

Drug Name
IZONSTERIDE
Synonyms Izonsteride < Prop INN; LY-320236; (4aR,10bR)-8-(4-Ethylbenzothiazol-2-ylsulfanyl)-4,10b-dimethyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinolin-3-one
Indication
Disease Entry ICD 11 Status REF
Hirsutism ED72 Phase 1/2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 422.6
Logarithm of the Partition Coefficient (xlogp) 6.2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C24H26N2OS2
IUPAC Name
(4aR,10bR)-8-[(4-ethyl-1,3-benzothiazol-2-yl)sulfanyl]-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
Canonical SMILES
CCC1=C2C(=CC=C1)SC(=N2)SC3=CC4=C(C=C3)[C@]5(CCC(=O)N([C@@H]5CC4)C)C
InChI
InChI=1S/C24H26N2OS2/c1-4-15-6-5-7-19-22(15)25-23(29-19)28-17-9-10-18-16(14-17)8-11-20-24(18,2)13-12-21(27)26(20)3/h5-7,9-10,14,20H,4,8,11-13H2,1-3H3/t20-,24-/m1/s1
InChIKey
VMGWGDPZHXPFTC-HYBUGGRVSA-N
Cross-matching ID
PubChem CID
172988
CAS Number
176975-26-1
TTD ID
D07BXC

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Oxo-5-alpha-steroid 4-dehydrogenase (SRD5A) TT2A0DR S5A1_HUMAN ; S5A2_HUMAN ; PORED_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 5alpha-reductase activity in the prostate. Urology. 2001 Dec;58(6 Suppl 1):17-24; discussion 24.
2 Phase I and clinical pharmacology of a type I and II, 5-alpha-reductase inhibitor (LY320236) in prostate cancer: elevation of estradiol as possible... Urology. 2004 Jan;63(1):114-9.