| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3643714
Max Phase: Preclinical
Molecular Formula: C21H28F3NO4
Molecular Weight: 415.45
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CO[C@H](c1ccc(N2CC[C@@]3(CC[C@@H](O)[C@H](OC(C)C)C3)C2=O)cc1)C(F)(F)F
Standard InChI: InChI=1S/C21H28F3NO4/c1-13(2)29-17-12-20(9-8-16(17)26)10-11-25(19(20)27)15-6-4-14(5-7-15)18(28-3)21(22,23)24/h4-7,13,16-18,26H,8-12H2,1-3H3/t16-,17-,18-,20-/m1/s1
Standard InChI Key: UISKTUYIECGCNM-SOAMZJECSA-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: 415.45 | Molecular Weight (Monoisotopic): 415.1970 | AlogP: 4.00 | #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: 3.12 | CX LogD: 3.12 |
| Aromatic Rings: 1 | Heavy Atoms: 29 | QED Weighted: 0.79 | Np Likeness Score: 0.12 |
References
| 1. (2014) SEC-hydroxycyclohexyl derivatives, |
Source
Source(1):