| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 6th, 2010 | 29 | Yes |
Popular Name: 1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide 1-[(4-fluorophenyl)methyl]-N-(4-…
| 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) | 3.64 | 12 | -11.35 | 1 | 5 | 0 | 64 | 393.462 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CNR1-1-E | Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic | Eukaryotes | 200 | 0.32 | Binding ≤ 10μM |
| CNR1-1-E | Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic | Eukaryotes | 300 | 0.31 | Binding ≤ 10μM |
| CNR2-1-E | Cannabinoid CB2 Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1 | 0.43 | Binding ≤ 10μM |
| CNR2-1-E | Cannabinoid CB2 Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 9 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CNR1_HUMAN | P21554 | Cannabinoid CB1 Receptor, Human | 200 | 0.32 | Binding ≤ 1μM |
| CNR2_HUMAN | P34972 | Cannabinoid CB2 Receptor, Human | 0.7 | 0.44 | Binding ≤ 1μM |
| CNR1_HUMAN | P21554 | Cannabinoid CB1 Receptor, Human | 200 | 0.32 | Binding ≤ 10μM |
| CNR2_HUMAN | P34972 | Cannabinoid CB2 Receptor, Human | 0.7 | 0.44 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (i) signalling events |
