| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4558419
Max Phase: Preclinical
Molecular Formula: C24H46FO5P
Molecular Weight: 464.60
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCCCCC/C=C\CCCCCCCC(=O)OC(COC(C)C)COP(C)(=O)F
Standard InChI: InChI=1S/C24H46FO5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(26)30-23(20-28-22(2)3)21-29-31(4,25)27/h11-12,22-23H,5-10,13-21H2,1-4H3/b12-11-
Standard InChI Key: KAMDIPZCMWRTLU-QXMHVHEDSA-N
Associated Targets(Human)
Sn1-specific diacylglycerol lipase alpha 416 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 464.60 | Molecular Weight (Monoisotopic): 464.3067 | AlogP: 7.78 | #Rotatable Bonds: 21 |
| Polar Surface Area: 61.83 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 6.66 | CX LogD: 6.66 |
| Aromatic Rings: 0 | Heavy Atoms: 31 | QED Weighted: 0.08 | Np Likeness Score: 0.53 |
References
| 1. Janssen FJ, van der Stelt M.. (2016) Inhibitors of diacylglycerol lipases in neurodegenerative and metabolic disorders., 26 (16): [PMID:27394666] [10.1016/j.bmcl.2016.06.076] |
Source
Source(1):