| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 6th, 2009 | 29 | No |
| 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) | 5.24 | 11.95 | -9.3 | 1 | 3 | 0 | 38 | 388.555 | 1 | ↓ |
| Mid Mid (pH 6-8) | 5.24 | 12.38 | -35.24 | 2 | 3 | 1 | 39 | 389.563 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | Androgen Receptor, P450 | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ANDR-2-E | Androgen Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 845 | 0.29 | Binding ≤ 10μM |
| CP17A-2-E | Cytochrome P450 17A1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 300 | 0.31 | Binding ≤ 10μM |
| Q5EM59-1-E | Androgen Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 845 | 0.29 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q5EM59_BOVIN | Q5EM59 | Androgen Receptor, Bovin | 384 | 0.31 | Binding ≤ 1μM |
| ANDR_HUMAN | P10275 | Androgen Receptor, Human | 384 | 0.31 | Binding ≤ 1μM |
| CP17A_HUMAN | P05093 | Cytochrome P450 17A1, Human | 300 | 0.31 | Binding ≤ 1μM |
| Q5EM59_BOVIN | Q5EM59 | Androgen Receptor, Bovin | 384 | 0.31 | Binding ≤ 10μM |
| ANDR_HUMAN | P10275 | Androgen Receptor, Human | 384 | 0.31 | Binding ≤ 10μM |
| CP17A_HUMAN | P05093 | Cytochrome P450 17A1, Human | 300 | 0.31 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Androgen biosynthesis | |
| Endogenous sterols | |
| Glucocorticoid biosynthesis | |
| Nuclear Receptor transcription pathway |
