| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2004 | 31 | Yes |
103420-77-5; C11710; Devazepide; MK-329
103420-77-5; D02693; Devazepide (USAN/INN); L 364718
| 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) | 3.34 | 8.31 | -14.53 | 2 | 6 | 0 | 78 | 408.461 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCKAR-1-E | Cholecystokinin A Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 800 | 0.28 | Binding ≤ 10μM |
| GASR-1-E | Cholecystokinin B Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 31 | 0.34 | Binding ≤ 10μM |
| OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 10000 | 0.23 | Binding ≤ 10μM |
| OPRK-1-E | Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 10000 | 0.23 | Binding ≤ 10μM |
| OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 10000 | 0.23 | Binding ≤ 10μM |
| SGMR1-1-E | Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 10000 | 0.23 | Binding ≤ 10μM |
| CCKAR-1-E | Cholecystokinin A Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 0 | 0.00 | Functional ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 3 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCKAR_HUMAN | P32238 | Cholecystokinin A Receptor, Human | 0.1 | 0.45 | Binding ≤ 1μM |
| CCKAR_RAT | P30551 | Cholecystokinin A Receptor, Rat | 0.1 | 0.45 | Binding ≤ 1μM |
| GASR_MOUSE | P56481 | Cholecystokinin B Receptor, Mouse | 270 | 0.30 | Binding ≤ 1μM |
| GASR_HUMAN | P32239 | Cholecystokinin B Receptor, Human | 170 | 0.31 | Binding ≤ 1μM |
| GASR_RAT | P30553 | Cholecystokinin B Receptor, Rat | 0.8 | 0.41 | Binding ≤ 1μM |
| CCKAR_HUMAN | P32238 | Cholecystokinin A Receptor, Human | 0.1 | 0.45 | Binding ≤ 10μM |
| CCKAR_RAT | P30551 | Cholecystokinin A Receptor, Rat | 0.1 | 0.45 | Binding ≤ 10μM |
| GASR_MOUSE | P56481 | Cholecystokinin B Receptor, Mouse | 270 | 0.30 | Binding ≤ 10μM |
| GASR_HUMAN | P32239 | Cholecystokinin B Receptor, Human | 1400 | 0.26 | Binding ≤ 10μM |
| GASR_RAT | P30553 | Cholecystokinin B Receptor, Rat | 0.8 | 0.41 | Binding ≤ 10μM |
| OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 10000 | 0.23 | Binding ≤ 10μM |
| OPRK_RAT | P34975 | Kappa Opioid Receptor, Rat | 10000 | 0.23 | Binding ≤ 10μM |
| OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 10000 | 0.23 | Binding ≤ 10μM |
| SGMR1_RAT | Q9R0C9 | Sigma Opioid Receptor, Rat | 10000 | 0.23 | Binding ≤ 10μM |
| CCKAR_HUMAN | P32238 | Cholecystokinin A Receptor, Human | 0.1 | 0.45 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 2.5 | 0.39 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| G-protein activation | |
| Gastrin-CREB signalling pathway via PKC and MAPK | |
| Opioid Signalling | |
| Peptide ligand-binding receptors |
