| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 30th, 2009 | 25 | Yes |
Popular Name: 2-[(1S)-9-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-1-yl]acetic 2-[(1S)-9-[(4-chlorophenyl)methy…
| 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) | 3.19 | 13.57 | -45.72 | 0 | 3 | -1 | 45 | 352.841 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PD2R-1-E | Prostanoid DP Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 36 | 0.42 | Binding ≤ 10μM |
| TA2R-1-E | Thromboxane A2 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2 | 0.49 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PD2R_HUMAN | Q13258 | Prostanoid DP Receptor, Human | 36 | 0.42 | Binding ≤ 1μM |
| TA2R_HUMAN | P21731 | Thromboxane A2 Receptor, Human | 2.4 | 0.48 | Binding ≤ 1μM |
| PD2R_HUMAN | Q13258 | Prostanoid DP Receptor, Human | 36 | 0.42 | Binding ≤ 10μM |
| TA2R_HUMAN | P21731 | Thromboxane A2 Receptor, Human | 2.4 | 0.48 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (12/13) signalling events | |
| G alpha (q) signalling events | |
| G alpha (s) signalling events | |
| Prostanoid ligand receptors | |
| Thromboxane signalling through TP receptor |
