| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 31 | Yes |
Popular Name: 3-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1-[(1S)-1-phenylethyl]urea 3-[(3R)-1-methyl-2-oxo-5-phenyl-…
None
| 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) | 3.45 | 8.61 | -14.22 | 2 | 6 | 0 | 74 | 412.493 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0284256A1; US4820834; US5004741 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCKAR-1-E | Cholecystokinin A Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 430 | 0.29 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCKAR_RAT | P30551 | Cholecystokinin A Receptor, Rat | 430 | 0.29 | Binding ≤ 1μM |
| CCKAR_RAT | P30551 | Cholecystokinin A Receptor, Rat | 430 | 0.29 | Binding ≤ 10μM |
