General Information of Drug (ID: DMITJAK)

Drug Name
Androsterone
Synonyms
androsterone; 53-41-8; Androkinine; Androtine; 5alpha-Androsterone; Atromide ICI; 3alpha-Hydroxy-5alpha-androstan-17-one; 3-Epihydroxyetioallocholan-17-one; cis-Androsterone; 3alpha-Hydroxyetioallocholan-17-one; 5alpha-Androstane-3alpha-ol-17-one; 3alpha-Hydroxy-17-androstanone; Androstanon-3-alpha-ol-17-one; 3-alpha-Hydroxy-17-androstanone; 3-alpha-Hydroxyetioallocholan-17-one; 3-alpha-Hydroxy-5-alpha-androstan-17-one; 5-alpha-Androstan-3-alpha-ol-17-one; Caswell No. 051G; Androstan-17-one, 3-hydroxy-, (3alpha,5alpha)-
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 290.4
Topological Polar Surface Area (xlogp) 3.7
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C19H30O2
IUPAC Name
(3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
Canonical SMILES
C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O
InChI
InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-/m0/s1
InChIKey
QGXBDMJGAMFCBF-HLUDHZFRSA-N
Cross-matching ID
PubChem CID
5879
ChEBI ID
CHEBI:16032
CAS Number
53-41-8
TTD ID
D0H5HO
INTEDE ID
DR1916

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Gamma-aminobutyric acid receptor (GAR) TTNJYV2 NOUNIPROTAC Inhibitor [1]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
UDP-glucuronosyltransferase 1A6 (UGT1A6) DESD26P UD16_HUMAN Substrate [2]
Aldo-keto reductase 1C3 (AKR1C3) DEGQTXO AK1C3_HUMAN Substrate [3]
Farnesol dehydrogenase (AKR1B15) DER0XCH AK1BF_HUMAN Substrate [4]
Alcohol dehydrogenase class-II (ADH4) DEOCWU3 ADH4_HUMAN Substrate [5]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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