| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2004 | 18 | No |
| 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) | 3.37 | 5.43 | -8.31 | 0 | 5 | 0 | 58 | 334.523 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES-1-E | Acetylcholinesterase (cluster #1 Of 12), Eukaryotic | Eukaryotes | 63 | 0.56 | Binding ≤ 10μM |
| CNR1-5-E | Cannabinoid CB1 Receptor (cluster #5 Of 5), Eukaryotic | Eukaryotes | 3 | 0.66 | Binding ≤ 10μM |
| FAAH1-5-E | Anandamide Amidohydrolase (cluster #5 Of 7), Eukaryotic | Eukaryotes | 460 | 0.49 | Binding ≤ 10μM |
| MGLL-3-E | Monoglyceride Lipase (cluster #3 Of 7), Eukaryotic | Eukaryotes | 10 | 0.62 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES_MOUSE | P21836 | Acetylcholinesterase, Mouse | 63 | 0.56 | Binding ≤ 1μM |
| FAAH1_MOUSE | O08914 | Anandamide Amidohydrolase, Mouse | 40 | 0.58 | Binding ≤ 1μM |
| CNR1_MOUSE | P47746 | Cannabinoid CB1 Receptor, Mouse | 0.86 | 0.71 | Binding ≤ 1μM |
| MGLL_MOUSE | O35678 | Monoglyceride Lipase, Mouse | 10 | 0.62 | Binding ≤ 1μM |
| ACES_MOUSE | P21836 | Acetylcholinesterase, Mouse | 63 | 0.56 | Binding ≤ 10μM |
| FAAH1_MOUSE | O08914 | Anandamide Amidohydrolase, Mouse | 40 | 0.58 | Binding ≤ 10μM |
| CNR1_MOUSE | P47746 | Cannabinoid CB1 Receptor, Mouse | 0.86 | 0.71 | Binding ≤ 10μM |
| MGLL_MOUSE | O35678 | Monoglyceride Lipase, Mouse | 10 | 0.62 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Acyl chain remodeling of DAG and TAG | |
| Arachidonate production from DAG | |
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (i) signalling events | |
| Hormone-sensitive lipase (HSL)-mediated triacylglycerol hydrolysis | |
| Neurotransmitter Clearance In The Synaptic Cleft | |
| Synthesis of PC |
