| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2005 | 21 | Yes |
Popular Name: 8,8-Dimethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1H-pyrido[3,2-g]quinolin-2-one 8,8-Dimethyl-4-trifluoromethyl-6…
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CAS Number: 179897-43-9
| 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) | 3.42 | 0.16 | -7.13 | 2 | 3 | 0 | 44 | 296.292 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ANDR-1-E | Androgen Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 26 | 0.51 | Binding ≤ 10μM |
| ANDR-1-E | Androgen Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 27 | 0.50 | Functional ≤ 10μM |
| PRGR-1-E | Progesterone Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 330 | 0.43 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ANDR_HUMAN | P10275 | Androgen Receptor, Human | 26 | 0.51 | Binding ≤ 1μM |
| ANDR_HUMAN | P10275 | Androgen Receptor, Human | 26 | 0.51 | Binding ≤ 10μM |
| ANDR_HUMAN | P10275 | Androgen Receptor, Human | 10000 | 0.33 | Functional ≤ 10μM |
| PRGR_HUMAN | P06401 | Progesterone Receptor, Human | 330 | 0.43 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Nuclear Receptor transcription pathway | |
| Nuclear signaling by ERBB4 |
No pre-computed analogs available. Try a structural similarity search.