Details of the Drug

General Information of Drug (ID: DML6MVH)

Drug Name

Delta1-dihydrotestosterone

Synonyms

1-testosterone; Delta1-dihydrotestosterone; 1-Testo; 65-06-5; 17beta-Hydroxy-5alpha-androst-1-en-3-one; UNII-Y984BV1Q0G; Y984BV1Q0G; 5alpha-androst-1-en-17beta-ol-3-one; 1-T [Steroid]; 5.alpha.-Androst-1-en-3-one, 17.beta.-hydroxy-; AC1L5X4C; Delta(1)-dihydrotestosterone; SCHEMBL867595; CHEBI:59714; DTXSID80215312; OKJCFMUGMSVJBG-ABEVXSGRSA-N; NSC39366; ZINC4791927; NSC121140; NSC-39366; LMST02020110; NSC-121140; DB01481; LS-193302; (5alpha,17beta)-hydroxyandrost-1-en-3-one; C15377; 171T609; 1-T

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

288.4

Logarithm of the Partition Coefficient (xlogp)

4

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C19H28O2
IUPAC Name: (5S,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Canonical SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@]3(C=CC(=O)C4)C
InChI: InChI=1S/C19H28O2/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/h7,9,12,14-17,21H,3-6,8,10-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
InChIKey: OKJCFMUGMSVJBG-ABEVXSGRSA-N