ID: ALA473511
Chembl Id: CHEMBL473511
PubChem CID: 44563442
Max Phase: Preclinical
Molecular Formula: C23H44FO5P
Molecular Weight: 450.57
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC(COC)COP(C)(=O)F
Standard InChI: InChI=1S/C23H44FO5P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)29-22(20-27-2)21-28-30(3,24)26/h11-12,22H,4-10,13-21H2,1-3H3/b12-11-
Standard InChI Key: CDHQVIDRFGTHFA-QXMHVHEDSA-N
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| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Molecular Weight: 450.57 | Molecular Weight (Monoisotopic): 450.2910 | AlogP: 7.39 | #Rotatable Bonds: 21 |
| Polar Surface Area: 61.83 | Molecular Species: NEUTRAL | HBA: 5 | HBD: ┄ |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 6.32 | CX LogD: 6.32 |
| Aromatic Rings: ┄ | Heavy Atoms: 30 | QED Weighted: 0.08 | Np Likeness Score: 0.76 |
| 1. Hoover HS, Blankman JL, Niessen S, Cravatt BF.. (2008) Selectivity of inhibitors of endocannabinoid biosynthesis evaluated by activity-based protein profiling., 18 (22): [PMID:18657971] [10.1016/j.bmcl.2008.06.091] |
| 2. Johnston M, Bhatt SR, Sikka S, Mercier RW, West JM, Makriyannis A, Gatley SJ, Duclos RI.. (2012) Assay and inhibition of diacylglycerol lipase activity., 22 (14): [PMID:22738638] [10.1016/j.bmcl.2012.05.101] |
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