UCSF

ZINC03807917

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2005 21 No

Popular Name: DEHYDROEPIANDROSTERONE DEHYDROEPIANDROSTERONE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 53-43-0 , [53-43-0]

Other Names:

(+)-Dehydroisoandrosterone, 99%

(+)-Dehydroisoandrosterone; (3-beta)-3-Hydroxyandrost-5-en-17-one; (3beta)-3-hydroxy-Androst-5-en-17-one; (3beta,16alpha)-3,16-dihydroxy-androst-5-en-17-one; 17-Chetovis; 17-Hormoforin; 3-beta-Hydroxy-5-androsten-17-one; 3-beta-Hydroxyandrost-5-en-17-one

(+)-Dehydroisoandrosterone;(3-beta)-3-Hydroxyandrost-5-en-17-one;(3beta)-3-hydroxy-Androst-5-en-17-one;(3beta,16alpha)-3,16-dihydroxy-androst-5-en-17-one;17-Chetovis;17-Hormoforin;3-beta-Hydroxy-5-androsten-17-one;3-beta-Hydroxyandrost-5-en-17-one;3b-Hydr

(2R,5S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-14-one

(3-beta)-3-Hydroxyandrost-5-en-17-one; (3beta)-3-hydroxyandrost-5-en-17-one; 17-Chetovis; 17-Hormoforin; 3-beta-Hydroxy-5-androsten-17-one; 3beta-Hydroxy-5-androsten-17-one; 3beta-Hydroxyandrost-5-en-17-one; 5,6-Dehydroisoandrosterone; 5,6-Dehydroisoandro

(3beta)-3-hydroxyandrost-5-en-17-one; 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE; 3beta-Hydroxy-5-androsten-17-one; 3beta-Hydroxyandrost-5-en-17-one; 5-Androsten-3beta-ol-17-one; AND; DEHYDROEPIANDROSTERONE; DHA; DHEA; Dehydroisoandrosterone; Prasterone; bmse00066

ster-

3-beta-Hydroxy-5-androsten-17-one

3-beta-hydroxyandrost-5-en-17-one; 53-43-0; DHA; DHEA; Dehydroisoandrosterone; androst-5-en-17-one, 3-hydroxy-, (3beta)-; androstenolone; dehydroepiandrosterone

3beta-hydroxyandrost-5-en-17-one

3beta-Hydroxyandrost-5-en-17-one; 53-43-0; C01227; DHA; DHEA; Dehydroepiandrosterone; Dehydroisoandrosterone

3beta-hydroxyandrost-5-en-17-one; Prasterone

5-Androsten-3beta-ol-17-one

5-Dehydroepiandrosterone

5-DHEA

53-43-0; Biolaif (TN); D08409; Prasterone (INN)

Anastar

Androstenolone

Aslera

CHEBI:1723; CHEBI:40738; CHEBI:11911; CHEBI:20246

CPD000059075; DEHYDROEPIANDROSTERONE; 53-43-0

CPD000059075; DEHYDROEPIANDROSTERONE; SAM001246922

Dehydroepiandrosterone (DHEA)

Dehydroepiandrosterone;3?-Hydroxyandrost-5-en-17-one

Dehydroepiandrosterone;3¦Â-Hydroxyandrost-5-en-17-o

Dehydroisoandrosterone

DHA

DHEA

EL-10

Fidelin

Fidelin T

GL-701

Inflabloc

INN)

IP-1001

IPL-1001

MFCD00003613

MI)

OVIGYN-D

PB-007

Prasterone

Prasterone (INN

Prasterone (MI

Prestara

SH-K-04828

trans-Dehydroandrosterone

Vaginorm

Yohimbine

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) 3.25 6.94 -6.17 1 2 0 37 288.431 0 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 146 - 151 Acros Organics
UniProt Database Links 3BHS1_HUMAN; 3BHS_MYCTU; ABCCB_HUMAN; ACP_VIBMA; APT_HUMAN; CP17A_BISBI; CP17A_BOVIN; CP17A_CAPHI; CP17A_CAVPO; CP17A_CHICK; CP17A_FELCA; CP17A_HORSE; CP17A_HUMAN; CP17A_ICTPU; CP17A_MACFA; CP17A_MACMU; CP17A_MESAU; CP17A_MOUSE; CP17A_ONCMY; CP17A_ORYLA ChEBI
ALOGPS_SOLUBILITY 4.38e-02 g/l DrugBank-nutriceuticals
Target Androgen Receptor Selleck Chemicals
Therapy androgen, estrogen, treatment of menopausal syndrome SMDC Pharmakon
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Tocris Cookson Ltd.; NCC_SUPPLIER_STRUCTURE_ID : 101406 NIH Clinical Collection via PubChem
Reactome Database Links REACT_10026; REACT_10056; REACT_115686; REACT_6969 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Tocris Bioscience; SUPPLIER_STRUCTURE_ID: 101406 NIH Clinical Collection via PubChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
G6PD-1-E Glucose-6-phosphate 1-dehydrogenase (cluster #1 Of 1), Eukaryotic Eukaryotes 8900 0.34 Binding ≤ 10μM
Q9GRG7-1-E Glucose-6-phosphate 1-dehydrogenase (cluster #1 Of 1), Eukaryotic Eukaryotes 1700 0.38 Binding ≤ 10μM
GPBAR-2-E G-protein Coupled Bile Acid Receptor 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 3330 0.37 Functional ≤ 10μM
Z80178-2-O J774.A1 (Macrophage Cells) (cluster #2 Of 3), Other Other 141 0.46 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q9GRG7_9TRYP Q9GRG7 Glucose-6-phosphate 1-dehydrogenase, 9tryp 1100 0.40 Binding ≤ 10μM
G6PD_HUMAN P11413 Glucose-6-phosphate 1-dehydrogenase, Human 6200 0.35 Binding ≤ 10μM
GPBAR_HUMAN Q8TDU6 G-protein Coupled Bile Acid Receptor 1, Human 3330 0.37 Functional ≤ 10μM
Z80178 Z80178 J774.A1 (Macrophage Cells) 141 0.46 Functional ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
Androgen biosynthesis
Cytosolic sulfonation of small molecules
Glycosphingolipid metabolism

Reactome Annotations from Targets (via Uniprot)

Description Species
Class A/1 (Rhodopsin-like receptors)
G alpha (s) signalling events
Pentose phosphate pathway (hexose monophosphate shunt)

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