UCSF

ZINC03814411

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 21 No

Popular Name: 5alpha-Androstane-3alpha,17beta-diol 5alpha-Androstane-3alpha,17beta-…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1852-53-5 , 25126-76-5 , 897-06-3 , [1852-53-5]

Other Names:

(3alpha,5alpha,17beta)-androstane-3,17-diol; 3alpha,17beta-dihydroxy-5alpha-androstane; hombreol

1,4-Androstadienedione

25126-76-5; Androstane-3,17-diol; Androstanediol; C07632

3 beta,17 beta-Dihydroxy-5 alpha-Androstane; 3alpha-Androstanediol; 5 Androstane 3,17 diol; 5 alpha-Androstane-3 beta,17 beta-diol; 5 alpha-Androstane-3alpha,17 beta-diol; 5 beta-Androstane-3 alpha,17 beta-diol; 5-Androstane-3,17-diol; 5alpha-Androstane-3

3-a-Androstanediol;3-alpha-Androstanediol;3alpha-androstanediol;5 a-Androstane-3 a, 17 b-diol;5 alpha-Androstane-3 alpha, 17 beta-diol;5-a-Androstane-3-a, 17-b-diol;5-alpha-Androstan-3-alpha,17-beta-diol;5-alpha-Androstane-3-a, 17-beta-diol;5-alpha-Andros

3-alpha,17-beta-Dihydroxy-5-alpha-androstane; 3alpha,17beta-Dihydroxy-5alpha-androstane; 5-alpha-Androstane-3-alpha,17-beta-diol; 5alpha-Androstan-3alpha,17beta-diol; 5alpha-Androstane-3alpha,17beta-androstanediol; 5alpha-Androstane-3alpha,17beta-diol; An

3ALPHA,17BETA-DIHYDROXY-5ALPHA-ANDROSTANE

3alpha-androstanediol

3alpha-androstanediol; 5-alpha-androstan-3alpha,17beta-diol; CPD-13179

5 alfa-Androstane-3beta, 17beta-diol

Adiol; Etiocholane-3a,17b-diol;3a,17b-Dihydroxy-5a-androstane;3a,5a-Tetrahydrotestosterone;3alpha,17beta-Dihydroxy-5alpha-androstane;5a-Androstane-3a,17b-diol;5alpha-Androstane-3alpha,17beta-androstanediol;5alpha-Androstane-3alpha,17beta-diol;Androstane-3

androstan-3alpha,17beta-diol

androstane-3,17-diol

androstane-3alpha,17beta-diol

Androstanediol

CHEBI:2711; CHEBI:13831

CHEBI:2713; CHEBI:22544

Dihydroandrosterone

LS-19353

MFCD00003676

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.61 4.66 -3.33 2 2 0 40 292.463 0 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.93e-02 g/l DrugBank-Street Drugs
UniProt Database Links 3BHS4_MOUSE; 3BHS5_MOUSE; 3BHS5_RAT; AK1C3_HUMAN; DHRS9_BOVIN; DHRS9_HUMAN; DHRS9_MOUSE; DHRS9_RAT; H17B6_HUMAN; RDH16_HUMAN ChEBI
Purity 98% APIChem
UniProt Database Links HSD_MYCBO; HSD_MYCTU; HSD_STREX ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPBAR-2-E G-protein Coupled Bile Acid Receptor 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 7010 0.34 Functional ≤ 10μM
Z104301-2-O GABA-A Receptor; Anion Channel (cluster #2 Of 8), Other Other 1867 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104301 Z104301 GABA-A Receptor; Anion Channel 1867 0.38 Binding ≤ 10μM
GPBAR_HUMAN Q8TDU6 G-protein Coupled Bile Acid Receptor 1, Human 7010 0.34 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Class A/1 (Rhodopsin-like receptors)
G alpha (s) signalling events

Analogs ( Draw Identity 99% 90% 80% 70% )