| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3643713
Max Phase: Preclinical
Molecular Formula: C20H26F3NO4
Molecular Weight: 401.43
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)O[C@@H]1C[C@@]2(CC[C@H]1O)CCN(c1ccc(OCC(F)(F)F)cc1)C2=O
Standard InChI: InChI=1S/C20H26F3NO4/c1-13(2)28-17-11-19(8-7-16(17)25)9-10-24(18(19)26)14-3-5-15(6-4-14)27-12-20(21,22)23/h3-6,13,16-17,25H,7-12H2,1-2H3/t16-,17-,19-/m1/s1
Standard InChI Key: TWYXVYSMMUCKOW-ZHALLVOQSA-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: 401.43 | Molecular Weight (Monoisotopic): 401.1814 | AlogP: 3.69 | #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: 3.02 | CX LogD: 3.02 |
| Aromatic Rings: 1 | Heavy Atoms: 28 | QED Weighted: 0.82 | Np Likeness Score: -0.22 |
References
| 1. (2014) SEC-hydroxycyclohexyl derivatives, |
Source
Source(1):