| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2009 | 28 | Yes |
Popular Name: 4-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylmethyl]benzoic 4-[[1-[(4-chlorophenyl)methyl]be…
| 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) | 6.19 | 14 | -54.91 | 0 | 4 | -1 | 58 | 407.902 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 6.19 | 14.45 | -72 | 1 | 4 | 0 | 59 | 408.91 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TA2R-1-E | Thromboxane A2 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4700 | 0.27 | Binding ≤ 10μM |
| DRD2-7-E | Dopamine D2 Receptor (cluster #7 Of 24), Eukaryotic | Eukaryotes | 3500 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 3500 | 0.27 | Binding ≤ 10μM |
| TA2R_HUMAN | P21731 | Thromboxane A2 Receptor, Human | 4700 | 0.27 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (12/13) signalling events | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Prostanoid ligand receptors | |
| Thromboxane signalling through TP receptor |
