| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 26 | Yes |
Popular Name: (¡À)-2-Methylarachidonoyl-2'-fluoroethylamide (¡À)-2-Methylarachidonoyl-2'-flu…
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CAS Number: 166100-39-6
(±)-2-Methyl Arachidonoyl-2'-Fluoroethylamide
N-(2-fluro-ethyl) 2-methyl-arachidonoyl amine
N-(2-fluro-ethyl)-2-methyl-5Z,8Z,11Z,14Z-eicosatetraenoyl amine
N-(2-fluro-ethyl)2-methylarachidonoylamide; 2-methylarachidonoyl-(2'-fluoroethyl)amide
| 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) | 6.82 | 14.06 | -9.34 | 1 | 2 | 0 | 29 | 363.561 | 16 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CNR1-3-E | Cannabinoid CB1 Receptor (cluster #3 Of 5), Eukaryotic | Eukaryotes | 6 | 0.44 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CNR1_MOUSE | P47746 | Cannabinoid CB1 Receptor, Mouse | 15 | 0.42 | Binding ≤ 1μM |
| CNR1_RAT | P20272 | Cannabinoid CB1 Receptor, Rat | 15.3 | 0.42 | Binding ≤ 1μM |
| CNR1_MOUSE | P47746 | Cannabinoid CB1 Receptor, Mouse | 15 | 0.42 | Binding ≤ 10μM |
| CNR1_RAT | P20272 | Cannabinoid CB1 Receptor, Rat | 15.3 | 0.42 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (i) signalling events |
