| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2005 | 41 | No |
Popular Name: N-[4-(chloroBLAHyl)carbonylphenyl]-2-(p-tolyl)benzamide N-[4-(chloroBLAHyl)carbonylpheny…
| 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) | 7.31 | 2.02 | -45.72 | 2 | 5 | 1 | 53 | 563.121 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| V1AR-1-E | Vasopressin V1a Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 24 | 0.26 | Binding ≤ 10μM |
| V2R-1-E | Vasopressin V2 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5 | 0.28 | Binding ≤ 10μM |
| CP2C9-1-E | Cytochrome P450 2C9 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 7400 | 0.18 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| V1AR_HUMAN | P37288 | Vasopressin V1a Receptor, Human | 23 | 0.26 | Binding ≤ 1μM |
| V2R_HUMAN | P30518 | Vasopressin V2 Receptor, Human | 13 | 0.27 | Binding ≤ 1μM |
| V1AR_HUMAN | P37288 | Vasopressin V1a Receptor, Human | 23 | 0.26 | Binding ≤ 10μM |
| V2R_HUMAN | P30518 | Vasopressin V2 Receptor, Human | 13 | 0.27 | Binding ≤ 10μM |
| CP2C9_HUMAN | P11712 | Cytochrome P450 2C9, Human | 7400 | 0.18 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| CYP2E1 reactions | |
| G alpha (q) signalling events | |
| G alpha (s) signalling events | |
| Synthesis of (16-20)-hydroxyeicosatetraenoic acids (HETE) | |
| Synthesis of epoxy (EET) and dihydroxyeicosatrienoic acids (DHET) | |
| Vasopressin regulates renal water homeostasis via Aquaporins | |
| Vasopressin-like receptors | |
| Xenobiotics |
