| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 21 | No |
Popular Name: EPIANDROSTERONE EPIANDROSTERONE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 481-29-8 , [481-29-8]
(3beta,5alpha)-3-Hydroxyandrostan-17-one
3beta-hydroxy-androstan-17-one
481-29-8; C07635; Epiandrosterone
481-29-8; Epiandrosterone; Prestwick_699
| 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 | 6.76 | -6.06 | 1 | 2 | 0 | 37 | 290.447 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 171 - 177 | Acros Organics |
| Target | Estrogen/progestogen Receptor | Selleck Chemicals |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Purity | ¡Ý98% | APIChem |
| 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 | 3400 | 0.36 | Binding ≤ 10μM |
| Q9GRG7-1-E | Glucose-6-phosphate 1-dehydrogenase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 490 | 0.42 | Binding ≤ 10μM |
| GPBAR-2-E | G-protein Coupled Bile Acid Receptor 1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 3200 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q9GRG7_9TRYP | Q9GRG7 | Glucose-6-phosphate 1-dehydrogenase, 9tryp | 460 | 0.42 | Binding ≤ 1μM |
| Q9GRG7_9TRYP | Q9GRG7 | Glucose-6-phosphate 1-dehydrogenase, 9tryp | 460 | 0.42 | Binding ≤ 10μM |
| G6PD_HUMAN | P11413 | Glucose-6-phosphate 1-dehydrogenase, Human | 3000 | 0.37 | Binding ≤ 10μM |
| GPBAR_HUMAN | Q8TDU6 | G-protein Coupled Bile Acid Receptor 1, Human | 3200 | 0.37 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (s) signalling events | |
| Pentose phosphate pathway (hexose monophosphate shunt) |
No pre-computed analogs available. Try a structural similarity search.