| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 17th, 2005 | 20 | No |
Popular Name: 4-(3-chloro-4-fluorophenyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione 4-(3-chloro-4-fluorophenyl)-4-az…
| 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) | 3.31 | 8.06 | -10.24 | 0 | 3 | 0 | 37 | 291.709 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ANDR-2-E | Androgen Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 2 | 0.61 | Binding ≤ 10μM |
| ANDR-2-E | Androgen Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 517 | 0.44 | Functional ≤ 10μM |
| Z80243-1-O | MDA-MB-453 (Breast Adenocarcinoma Cells) (cluster #1 Of 1), Other | Other | 517 | 0.44 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ANDR_HUMAN | P10275 | Androgen Receptor, Human | 177 | 0.47 | Binding ≤ 1μM |
| ANDR_HUMAN | P10275 | Androgen Receptor, Human | 177 | 0.47 | Binding ≤ 10μM |
| ANDR_HUMAN | P10275 | Androgen Receptor, Human | 132 | 0.48 | Functional ≤ 10μM |
| Z80243 | Z80243 | MDA-MB-453 (Breast Adenocarcinoma Cells) | 517 | 0.44 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Nuclear Receptor transcription pathway |
