| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2009 | 31 | No |
Popular Name: N-(azepan-1-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-pyrazole-3-carboxamide N-(azepan-1-yl)-5-(4-chloropheny…
| 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) | 5.72 | 13.08 | -7.34 | 1 | 5 | 0 | 50 | 477.823 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CNR1-1-E | Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic | Eukaryotes | 14 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CNR1_HUMAN | P21554 | Cannabinoid CB1 Receptor, Human | 14 | 0.35 | Binding ≤ 1μM |
| CNR1_HUMAN | P21554 | Cannabinoid CB1 Receptor, Human | 14 | 0.35 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (i) signalling events |
