In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 20th, 2008 | 31 | Yes |
Popular Name: 5-(4-bromophenyl)-N-cyclohexyl-1-(2,4-dichlorophenyl)-N,4-dimethyl-pyrazole-3-carboxamide 5-(4-bromophenyl)-N-cyclohexyl-1…
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) | 7.60 | 15.38 | -7.11 | 0 | 4 | 0 | 38 | 521.286 | 4 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
CNR1-1-E | Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic | Eukaryotes | 77 | 0.32 | Binding ≤ 10μM |
CNR2-1-E | Cannabinoid CB2 Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1260 | 0.27 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
CNR1_RAT | P20272 | Cannabinoid CB1 Receptor, Rat | 56 | 0.33 | Binding ≤ 1μM |
CNR1_RAT | P20272 | Cannabinoid CB1 Receptor, Rat | 56 | 0.33 | Binding ≤ 10μM |
CNR2_MOUSE | P47936 | Cannabinoid CB2 Receptor, Mouse | 1260 | 0.27 | Binding ≤ 10μM |
Description | Species |
---|---|
Class A/1 (Rhodopsin-like receptors) | |
G alpha (i) signalling events |