| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 30 | Yes |
Popular Name: 5-(4-chlorophenyl)-N-cyclohexyl-1-(2,4-dichlorophenyl)-4-methyl-pyrazole-3-carboxamide 5-(4-chlorophenyl)-N-cyclohexyl-…
| 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) | 7.22 | 13.17 | -6.87 | 1 | 4 | 0 | 47 | 462.808 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CNR1-1-E | Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic | Eukaryotes | 5 | 0.39 | Binding ≤ 10μM |
| CNR2-1-E | Cannabinoid CB2 Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 228 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CNR1_HUMAN | P21554 | Cannabinoid CB1 Receptor, Human | 1.8 | 0.41 | Binding ≤ 1μM |
| CNR1_RAT | P20272 | Cannabinoid CB1 Receptor, Rat | 1.07 | 0.42 | Binding ≤ 1μM |
| CNR2_HUMAN | P34972 | Cannabinoid CB2 Receptor, Human | 228 | 0.31 | Binding ≤ 1μM |
| CNR1_RAT | P20272 | Cannabinoid CB1 Receptor, Rat | 1.07 | 0.42 | Binding ≤ 10μM |
| CNR1_HUMAN | P21554 | Cannabinoid CB1 Receptor, Human | 1.8 | 0.41 | Binding ≤ 10μM |
| CNR2_HUMAN | P34972 | Cannabinoid CB2 Receptor, Human | 228 | 0.31 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (i) signalling events |
