| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2007 | 31 | Yes |
Popular Name: N-benzyl-5-[(3,5-dimethyl-1-piperidyl)sulfonyl]-3-methyl-benzofuran-2-carboxamide N-benzyl-5-[(3,5-dimethyl-1-pipe…
| 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) | 4.38 | 8.86 | -10.19 | 1 | 6 | 0 | 80 | 440.565 | 5 | ↓ |
| 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 | 6600 | 0.23 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CNR1_HUMAN | P21554 | Cannabinoid CB1 Receptor, Human | 77 | 0.32 | Binding ≤ 1μM |
| CNR1_HUMAN | P21554 | Cannabinoid CB1 Receptor, Human | 77 | 0.32 | Binding ≤ 10μM |
| CNR2_HUMAN | P34972 | Cannabinoid CB2 Receptor, Human | 6600 | 0.23 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (i) signalling events |
