| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 32 | No |
Popular Name: 1-(2,4-dichlorophenyl)-4-methyl-5-(2-nitrophenyl)-N-(1-piperidyl)pyrazole-3-carboxamide 1-(2,4-dichlorophenyl)-4-methyl-…
| 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) | 4.45 | 12.26 | -18.54 | 1 | 8 | 0 | 96 | 474.348 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CNR1-1-E | Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic | Eukaryotes | 255 | 0.29 | Binding ≤ 10μM |
| CNR2-1-E | Cannabinoid CB2 Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 691 | 0.27 | Binding ≤ 10μM |
| Z50512-1-O | Cavia Porcellus (cluster #1 Of 7), Other | Other | 6 | 0.36 | Functional ≤ 10μM |
| Z50594-1-O | Mus Musculus (cluster #1 Of 9), Other | Other | 25 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CNR1_RAT | P20272 | Cannabinoid CB1 Receptor, Rat | 255 | 0.29 | Binding ≤ 1μM |
| CNR2_MOUSE | P47936 | Cannabinoid CB2 Receptor, Mouse | 691 | 0.27 | Binding ≤ 1μM |
| CNR1_RAT | P20272 | Cannabinoid CB1 Receptor, Rat | 255 | 0.29 | Binding ≤ 10μM |
| CNR2_MOUSE | P47936 | Cannabinoid CB2 Receptor, Mouse | 691 | 0.27 | Binding ≤ 10μM |
| Z50512 | Z50512 | Cavia Porcellus | 5.96 | 0.36 | Functional ≤ 10μM |
| Z50594 | Z50594 | Mus Musculus | 25.4 | 0.33 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (i) signalling events |
No pre-computed analogs available. Try a structural similarity search.
