| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 29 | Yes |
Popular Name: (5Z,8Z,11Z,14Z)-N-[(1-methylpyrrol-2-yl)methyl]icosa-5,8,11,14-tetraenamide (5Z,8Z,11Z,14Z)-N-[(1-methylpyrr…
| 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) | 6.90 | 15.8 | -8.26 | 1 | 3 | 0 | 34 | 396.619 | 16 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CNR1-3-E | Cannabinoid CB1 Receptor (cluster #3 Of 5), Eukaryotic | Eukaryotes | 124 | 0.33 | Binding ≤ 10μM |
| CNR2-1-E | Cannabinoid CB2 Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 70 | 0.35 | Binding ≤ 10μM |
| Z50587-5-O | Homo Sapiens (cluster #5 Of 9), Other | Other | 5000 | 0.26 | Functional ≤ 10μM |
| Z80566-2-O | U-937 (Histiocytic Lymphoma Cells) (cluster #2 Of 2), Other | Other | 5000 | 0.26 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CNR1_RAT | P20272 | Cannabinoid CB1 Receptor, Rat | 124 | 0.33 | Binding ≤ 1μM |
| CNR2_HUMAN | P34972 | Cannabinoid CB2 Receptor, Human | 70 | 0.35 | Binding ≤ 1μM |
| CNR1_RAT | P20272 | Cannabinoid CB1 Receptor, Rat | 124 | 0.33 | Binding ≤ 10μM |
| CNR2_HUMAN | P34972 | Cannabinoid CB2 Receptor, Human | 70 | 0.35 | Binding ≤ 10μM |
| Z50587 | Z50587 | Homo Sapiens | 5000 | 0.26 | Functional ≤ 10μM |
| Z80566 | Z80566 | U-937 (Histiocytic Lymphoma Cells) | 5000 | 0.26 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (i) signalling events |
