| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3401172
Max Phase: Preclinical
Molecular Formula: C27H51O5P
Molecular Weight: 486.67
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCCCCCCCCCCCC[C@H]1CC[P@@](=O)(OC)OC(C)=C1C(=O)OC
Standard InChI: InChI=1S/C27H51O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-23-33(29,31-4)32-24(2)26(25)27(28)30-3/h25H,5-23H2,1-4H3/t25-,33+/m0/s1
Standard InChI Key: VRXYJHDZLJKPIN-OGVWKLGRSA-N
Associated Targets(non-human)
Hormone-sensitive lipase 209 Activities
Molecule Features
| 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 |
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: 486.67 | Molecular Weight (Monoisotopic): 486.3474 | AlogP: 8.96 | #Rotatable Bonds: 19 |
| Polar Surface Area: 61.83 | Molecular Species: | 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: 8.05 | CX LogD: 8.05 |
| Aromatic Rings: 0 | Heavy Atoms: 33 | QED Weighted: 0.10 | Np Likeness Score: 0.24 |
References
| 1. Vasilieva E, Dutta S, Malla RK, Martin BP, Spilling CD, Dupureur CM.. (2015) Rat hormone sensitive lipase inhibition by cyclipostins and their analogs., 23 (5): [PMID:25678014] [10.1016/j.bmc.2015.01.028] |
Source
Source(1):