UCSF

ZINC03814360

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: STANOLONE STANOLONE

Find On: PubMed — Wikipedia — Google

CAS Number: 521-18-6

Other Names:

(10S,13S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

(5-alpha,17-beta)-17-Hydroxyandrostan-3-one; 17-beta-Hydroxy-5-alpha-androstan-3-one; 17beta-Hydroxy-3-androstanone; 17beta-Hydroxy-5alpha-androstan-3-one; 4,5-alpha-Dihydrotestosterone; 4,5alpha-Dihydrotestosterone; 4-Dihydrotestosterone; 5-alpha-Androst

olone

17-BETA-HYDROXY-5ALPHA-ANDROSTAN-3-O; 17-beta-hydroxy-5-alpha-androstan-3-one; 17-beta-hydroxyandrostan-3-one; 17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,13,14,15,16, 17-hexadecahydrocyclopenta[a]phenanthren-3-one; 5-alpha-dihydrotestosterone; and

17-Hydroxy-androstan-3-one; 17-Hydroxyandrostan-3-one; 17b-Hydroxy-3-androstanone; 17beta-Hydroxyandrostan-3-one; 17beta-hydroxy-5alpha-androstan-3-one; 4,5a-Dihydrotestosterone; 4-Dihydrotestosterone; 5-a-Androstanolone; 5-alpha-Androstanolone; 5A-Andros

17-Hydroxy-androstan-3-one;17-Hydroxyandrostan-3-one;17b-Hydroxy-3-androstanone;17beta-hydroxy-5alpha-androstan-3-one;17beta-Hydroxyandrostan-3-one;4,5a-Dihydrotestosterone;4-Dihydrotestosterone;5-a-Androstanolone;5-alpha-Androstanolone;5a-Androstan-17b-o

17-Hydroxy-androstan-3-one;17-Hydroxyandrostan-3-one;17b-Hydroxy-3-androstanone;17beta-Hydroxyandrostan-3-one;17beta-hydroxy-5alpha-androstan-3-one;4,5a-Dihydrotestosterone;4-Dihydrotestosterone;5-a-Androstanolone;5-alpha-Androstanolone;5A-Androstan-3-on-

17beta-hydroxy-5alpha-androstan-3-one

17beta-Hydroxy-5alpha-androstan-3-one; 17beta-Hydroxyandrostan-3-one; 521-18-6; Androstanolone; C03917; Dihydrotestosterone

17beta-hydroxy-5alpha-androstan-3-one; 4,5alpha-dihydrotestosterone; 5alpha-DHT; DHT; Dihydrotestosteron; Stanolone; dihydrotestosterone

17beta-hydroxy-androstan-3-one

521-18-6; Andractim (TN); Androstanolone (INN); D07456; Stanolone

5alpha-dihydrotesosterone

Andractim

Andrin

androstanolona; androstanolone; androstanolonum

Androstanolone

Androstanolone (BAN

CHEBI:11342; CHEBI:11341; CHEBI:41876; CHEBI:19175; CHEBI:793

DHT

Dihydrotestosterone

INN); Stanolone (MI)

MFCD00003667

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.43 6.99 -5.86 1 2 0 37 290.447 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 182 TCI
UniProt Database Links 3BHS1_HUMAN; 3BHS1_MESAU; 3BHS2_MESAU; 3BHS4_MOUSE; 3BHS5_MOUSE; 3BHS5_RAT; AIG1_HUMAN; AIG1_MOUSE; AK1C2_HUMAN; AK1C3_HUMAN; AK1C4_HUMAN; AK1C4_MACFA; AK1C4_MACFU; ANDR_CANFA; ANDR_CROCR; ANDR_EULFC; ANDR_HUMAN; ANDR_LITCT; ANDR_MACFA; ANDR_MACMU; ANDR_M ChEBI
Reactome Database Links REACT_22210 ChEBI
Purity ¡Ý98%£¨TLC£© APIChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ANDR-2-E Androgen Receptor (cluster #2 Of 4), Eukaryotic Eukaryotes 3200 0.37 Binding ≤ 10μM
CP19A-2-E Cytochrome P450 19A1 (cluster #2 Of 3), Eukaryotic Eukaryotes 220 0.44 Binding ≤ 10μM
MCR-1-E Mineralocorticoid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 2100 0.38 Binding ≤ 10μM
PRGR-1-E Progesterone Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 440 0.42 Binding ≤ 10μM
ANDR-2-E Androgen Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 3 0.57 Functional ≤ 10μM
GPBAR-2-E G-protein Coupled Bile Acid Receptor 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 4490 0.36 Functional ≤ 10μM
SHBG-1-E Testis-specific Androgen-binding Protein (cluster #1 Of 1), Eukaryotic Eukaryotes 23 0.51 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ANDR_RAT P15207 Androgen Receptor, Rat 0.27 0.64 Binding ≤ 1μM
ANDR_HUMAN P10275 Androgen Receptor, Human 0.1 0.67 Binding ≤ 1μM
CP19A_HUMAN P11511 Cytochrome P450 19A1, Human 220 0.44 Binding ≤ 1μM
PRGR_RABIT P06186 Progesterone Receptor, Rabit 440 0.42 Binding ≤ 1μM
ANDR_RAT P15207 Androgen Receptor, Rat 0.27 0.64 Binding ≤ 10μM
ANDR_HUMAN P10275 Androgen Receptor, Human 0.1 0.67 Binding ≤ 10μM
CP19A_HUMAN P11511 Cytochrome P450 19A1, Human 1550 0.39 Binding ≤ 10μM
MCR_RAT P22199 Mineralocorticoid Receptor, Rat 2100 0.38 Binding ≤ 10μM
PRGR_RABIT P06186 Progesterone Receptor, Rabit 440 0.42 Binding ≤ 10μM
ANDR_RAT P15207 Androgen Receptor, Rat 2.2 0.58 Functional ≤ 10μM
ANDR_HUMAN P10275 Androgen Receptor, Human 0.1 0.67 Functional ≤ 10μM
GPBAR_HUMAN Q8TDU6 G-protein Coupled Bile Acid Receptor 1, Human 4490 0.36 Functional ≤ 10μM
SHBG_RAT P08689 Testis-specific Androgen-binding Protein, Rat 23 0.51 Functional ≤ 10μM
SHBG_HUMAN P04278 Testis-specific Androgen-binding Protein, Human 3.8 0.56 Functional ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
Androgen biosynthesis

Reactome Annotations from Targets (via Uniprot)

Description Species
Class A/1 (Rhodopsin-like receptors)
Endogenous sterols
Estrogen biosynthesis
G alpha (s) signalling events
Nuclear Receptor transcription pathway

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