| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 2nd, 2009 | 26 | Yes |
Popular Name: 6-(4-hydroxy-3-isopropyl-phenoxy)-5,7-dimethyl-quinoline-2-carboxylic 6-(4-hydroxy-3-isopropyl-phenoxy…
| 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) | 5.33 | 8.02 | -57.43 | 1 | 5 | -1 | 82 | 350.394 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| THA-1-E | Thyroid Hormone Receptor Alpha (cluster #1 Of 1), Eukaryotic | Eukaryotes | 200 | 0.36 | Binding ≤ 10μM |
| THB-1-E | Thyroid Hormone Receptor Beta-1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 15 | 0.42 | Binding ≤ 10μM |
| THA-1-E | Thyroid Hormone Receptor Alpha (cluster #1 Of 1), Eukaryotic | Eukaryotes | 83 | 0.38 | Functional ≤ 10μM |
| THB-1-E | Thyroid Hormone Receptor Beta-1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 49 | 0.39 | Functional ≤ 10μM |
| Z80092-2-O | CHO-K1 (Ovarian Cells) (cluster #2 Of 2), Other | Other | 83 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| THA_HUMAN | P10827 | Thyroid Hormone Receptor Alpha, Human | 200 | 0.36 | Binding ≤ 1μM |
| THB_HUMAN | P10828 | Thyroid Hormone Receptor Beta-1, Human | 15 | 0.42 | Binding ≤ 1μM |
| THA_HUMAN | P10827 | Thyroid Hormone Receptor Alpha, Human | 200 | 0.36 | Binding ≤ 10μM |
| THB_HUMAN | P10828 | Thyroid Hormone Receptor Beta-1, Human | 15 | 0.42 | Binding ≤ 10μM |
| Z80092 | Z80092 | CHO-K1 (Ovarian Cells) | 49 | 0.39 | Functional ≤ 10μM |
| THA_HUMAN | P10827 | Thyroid Hormone Receptor Alpha, Human | 83 | 0.38 | Functional ≤ 10μM |
| THB_HUMAN | P10828 | Thyroid Hormone Receptor Beta-1, Human | 49 | 0.39 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Nuclear Receptor transcription pathway |
