| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3401160
Max Phase: Preclinical
Molecular Formula: C22H39O6P
Molecular Weight: 430.52
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCCCCCCCCCO[P@]1(=O)OC[C@@H]2COC(=O)C2=C(C)O1
Standard InChI: InChI=1S/C22H39O6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-29(24)27-18-20-17-25-22(23)21(20)19(2)28-29/h20H,3-18H2,1-2H3/t20-,29+/m0/s1
Standard InChI Key: BHKGHKHKDXVQJF-AFJIDDCJSA-N
Associated Targets(non-human)
Hormone-sensitive lipase 209 Activities
Molecule Features
| Natural Product: Yes | 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: 430.52 | Molecular Weight (Monoisotopic): 430.2484 | AlogP: 6.70 | #Rotatable Bonds: 15 |
| Polar Surface Area: 71.06 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 6.12 | CX LogD: 6.12 |
| Aromatic Rings: 0 | Heavy Atoms: 29 | QED Weighted: 0.16 | Np Likeness Score: 0.47 |
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):