| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3643715
Max Phase: Preclinical
Molecular Formula: C20H23F6NO4
Molecular Weight: 455.39
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CO[C@H](c1ccc(N2CC[C@@]3(CC[C@@H](O)[C@H](OCC(F)(F)F)C3)C2=O)cc1)C(F)(F)F
Standard InChI: InChI=1S/C20H23F6NO4/c1-30-16(20(24,25)26)12-2-4-13(5-3-12)27-9-8-18(17(27)29)7-6-14(28)15(10-18)31-11-19(21,22)23/h2-5,14-16,28H,6-11H2,1H3/t14-,15-,16-,18-/m1/s1
Standard InChI Key: YZTKPBAXESIKIE-YFHUEUNASA-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: 455.39 | Molecular Weight (Monoisotopic): 455.1531 | AlogP: 4.15 | #Rotatable Bonds: 5 |
| Polar Surface Area: 59.00 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.30 | CX LogD: 3.30 |
| Aromatic Rings: 1 | Heavy Atoms: 31 | QED Weighted: 0.68 | Np Likeness Score: -0.01 |
References
| 1. (2014) SEC-hydroxycyclohexyl derivatives, |
Source
Source(1):