| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 14th, 2005 | 25 | No |
149301-79-1; AACOCF3; Arachidonyltrifluoromethane; C01397
Arachidonyl Trifluoromethyl Ketone
| 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) | 7.27 | 15.35 | -4.57 | 0 | 1 | 0 | 17 | 356.472 | 15 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FAAH1-2-E | Anandamide Amidohydrolase (cluster #2 Of 7), Eukaryotic | Eukaryotes | 3700 | 0.30 | Binding ≤ 10μM |
| MGLL-5-E | Monoglyceride Lipase (cluster #5 Of 7), Eukaryotic | Eukaryotes | 6457 | 0.29 | Binding ≤ 10μM |
| PA24A-1-E | Cytosolic Phospholipase A2 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2300 | 0.32 | Binding ≤ 10μM |
| PA24B-2-E | Phospholipase A2 Group 1VB (cluster #2 Of 2), Eukaryotic | Eukaryotes | 800 | 0.34 | Binding ≤ 10μM |
| PA24C-2-E | Cytosolic Phospholipase A2 Gamma (cluster #2 Of 2), Eukaryotic | Eukaryotes | 420 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FAAH1_HUMAN | O00519 | Anandamide Amidohydrolase, Human | 12.3 | 0.44 | Binding ≤ 1μM |
| PA24C_HUMAN | Q9UP65 | Cytosolic Phospholipase A2 Gamma, Human | 420 | 0.36 | Binding ≤ 1μM |
| PA24B_HUMAN | P0C869 | Phospholipase A2 Group 1VB, Human | 800 | 0.34 | Binding ≤ 1μM |
| FAAH1_HUMAN | O00519 | Anandamide Amidohydrolase, Human | 12.3 | 0.44 | Binding ≤ 10μM |
| FAAH1_RAT | P97612 | Anandamide Amidohydrolase, Rat | 3700 | 0.30 | Binding ≤ 10μM |
| PA24A_HUMAN | P47712 | Cytosolic Phospholipase A2, Human | 2300 | 0.32 | Binding ≤ 10μM |
| PA24C_HUMAN | Q9UP65 | Cytosolic Phospholipase A2 Gamma, Human | 420 | 0.36 | Binding ≤ 10μM |
| MGLL_HUMAN | Q99685 | Monoglyceride Lipase, Human | 6310 | 0.29 | Binding ≤ 10μM |
| PA24B_HUMAN | P0C869 | Phospholipase A2 Group 1VB, Human | 800 | 0.34 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Acyl chain remodeling of CL | |
| Acyl chain remodeling of DAG and TAG | |
| Acyl chain remodelling of PC | |
| Acyl chain remodelling of PE | |
| Acyl chain remodelling of PG | |
| Acyl chain remodelling of PI | |
| Acyl chain remodelling of PS | |
| ADP signalling through P2Y purinoceptor 1 | |
| Arachidonate production from DAG | |
| Arachidonic acid metabolism | |
| Hormone-sensitive lipase (HSL)-mediated triacylglycerol hydrolysis | |
| Hydrolysis of LPC | |
| Hydrolysis of LPE | |
| phospho-PLA2 pathway | |
| Platelet sensitization by LDL | |
| Synthesis of PA | |
| XBP1(S) activates chaperone genes |
