| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2005 | 22 | No |
Popular Name: 4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione 4-[3-(trifluoromethyl)phenyl]-4-…
| 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 | 8.52 | -10.63 | 0 | 3 | 0 | 37 | 309.287 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ANDR-4-E | Androgen Receptor (cluster #4 Of 4), Eukaryotic | Eukaryotes | 360 | 0.41 | Binding ≤ 10μM |
| ANDR-3-E | Androgen Receptor (cluster #3 Of 3), Eukaryotic | Eukaryotes | 7 | 0.52 | Functional ≤ 10μM |
| Z80243-1-O | MDA-MB-453 (Breast Adenocarcinoma Cells) (cluster #1 Of 1), Other | Other | 317 | 0.41 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ANDR_HUMAN | P10275 | Androgen Receptor, Human | 2 | 0.55 | Binding ≤ 1μM |
| ANDR_HUMAN | P10275 | Androgen Receptor, Human | 1615 | 0.37 | Binding ≤ 10μM |
| ANDR_HUMAN | P10275 | Androgen Receptor, Human | 12 | 0.50 | Functional ≤ 10μM |
| Z80243 | Z80243 | MDA-MB-453 (Breast Adenocarcinoma Cells) | 127 | 0.44 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Nuclear Receptor transcription pathway |
