| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 6th, 2009 | 27 | Yes |
Popular Name: 4-[2-(1-isopropyl-4,4-dimethyl-2-oxo-3H-quinolin-7-yl)ethynyl]benzoic 4-[2-(1-isopropyl-4,4-dimethyl-2…
| 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) | 3.91 | 12.53 | -51.66 | 0 | 4 | -1 | 60 | 360.433 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| RARA-1-E | Retinoic Acid Receptor Alpha (cluster #1 Of 1), Eukaryotic | Eukaryotes | 58 | 0.38 | Binding ≤ 10μM |
| RARB-1-E | Retinoic Acid Receptor Beta (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4 | 0.44 | Binding ≤ 10μM |
| RARG-1-E | Retinoic Acid Receptor Gamma (cluster #1 Of 2), Eukaryotic | Eukaryotes | 23 | 0.40 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| RARA_HUMAN | P10276 | Retinoic Acid Receptor Alpha, Human | 58 | 0.38 | Binding ≤ 1μM |
| RARB_HUMAN | P10826 | Retinoic Acid Receptor Beta, Human | 18 | 0.40 | Binding ≤ 1μM |
| RARG_HUMAN | P13631 | Retinoic Acid Receptor Gamma, Human | 20 | 0.40 | Binding ≤ 1μM |
| RARA_HUMAN | P10276 | Retinoic Acid Receptor Alpha, Human | 58 | 0.38 | Binding ≤ 10μM |
| RARB_HUMAN | P10826 | Retinoic Acid Receptor Beta, Human | 18 | 0.40 | Binding ≤ 10μM |
| RARG_HUMAN | P13631 | Retinoic Acid Receptor Gamma, Human | 20 | 0.40 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Nuclear Receptor transcription pathway |
