| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 19 | Yes |
Popular Name: 4-(trifluoromethyl)-6,7,8,9-tetrahydropyrano[3,2-g]quinolin-2-one 4-(trifluoromethyl)-6,7,8,9-tetr…
| 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) | 3.16 | 2.2 | -6.95 | 1 | 3 | 0 | 42 | 269.222 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ANDR-1-E | Androgen Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1 | 0.66 | Binding ≤ 10μM |
| ANDR-1-E | Androgen Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 19 | 0.57 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ANDR_HUMAN | P10275 | Androgen Receptor, Human | 1 | 0.66 | Binding ≤ 1μM |
| ANDR_HUMAN | P10275 | Androgen Receptor, Human | 1 | 0.66 | Binding ≤ 10μM |
| ANDR_HUMAN | P10275 | Androgen Receptor, Human | 19 | 0.57 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Nuclear Receptor transcription pathway |
