| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 19th, 2008 | 35 | Yes |
Popular Name: (2R)-2-[(4-chlorophenyl)carbamoylamino]-3-(1H-indol-3-yl)-N,N-dipentyl-propanamide (2R)-2-[(4-chlorophenyl)carbamoy…
| 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) | 7.30 | 13.05 | -9.77 | 3 | 6 | 0 | 77 | 497.083 | 13 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCKAR-1-E | Cholecystokinin A Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4200 | 0.22 | Binding ≤ 10μM |
| GASR-1-E | Cholecystokinin B Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5600 | 0.21 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCKAR_HUMAN | P32238 | Cholecystokinin A Receptor, Human | 4200 | 0.22 | Binding ≤ 10μM |
| GASR_HUMAN | P32239 | Cholecystokinin B Receptor, Human | 5600 | 0.21 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Gastrin-CREB signalling pathway via PKC and MAPK | |
| Peptide ligand-binding receptors |
