| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3643716
Max Phase: Preclinical
Molecular Formula: C26H27F6NO4
Molecular Weight: 531.49
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1N(c2ccc([C@@H](OCc3ccccc3)C(F)(F)F)cc2)CC[C@@]12CC[C@@H](O)[C@H](OCC(F)(F)F)C2
Standard InChI: InChI=1S/C26H27F6NO4/c27-25(28,29)16-37-21-14-24(11-10-20(21)34)12-13-33(23(24)35)19-8-6-18(7-9-19)22(26(30,31)32)36-15-17-4-2-1-3-5-17/h1-9,20-22,34H,10-16H2/t20-,21-,22-,24-/m1/s1
Standard InChI Key: SYPRGLCEKGZXFH-GBEXAXCTSA-N
Associated Targets(Human)
Hormone sensitive lipase 506 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: 531.49 | Molecular Weight (Monoisotopic): 531.1844 | AlogP: 5.72 | #Rotatable Bonds: 7 |
| Polar Surface Area: 59.00 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 2 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 5.02 | CX LogD: 5.02 |
| Aromatic Rings: 2 | Heavy Atoms: 37 | QED Weighted: 0.46 | Np Likeness Score: -0.14 |
References
| 1. (2014) SEC-hydroxycyclohexyl derivatives, |
Source
Source(1):