| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 19th, 2008 | 35 | Yes |
Popular Name: 3,4-dichloro-N-[(1R)-2-(dipentylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]benzamide 3,4-dichloro-N-[(1R)-2-(dipentyl…
| 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) | 7.59 | 14.63 | -9.77 | 2 | 5 | 0 | 65 | 516.513 | 13 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCKAR-1-E | Cholecystokinin A Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 190 | 0.27 | Binding ≤ 10μM |
| CCKAR-1-E | Cholecystokinin A Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 190 | 0.27 | Binding ≤ 10μM |
| Z50512-1-O | Cavia Porcellus (cluster #1 Of 7), Other | Other | 2500 | 0.22 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCKAR_HUMAN | P32238 | Cholecystokinin A Receptor, Human | 190 | 0.27 | Binding ≤ 1μM |
| CCKAR_HUMAN | P32238 | Cholecystokinin A Receptor, Human | 190 | 0.27 | Binding ≤ 10μM |
| Z50512 | Z50512 | Cavia Porcellus | 2500 | 0.22 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
