| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3643718
Max Phase: Preclinical
Molecular Formula: C18H19F6NO4
Molecular Weight: 427.34
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1N(c2ccc(OC(F)(F)F)cc2)CC[C@]12CC[C@H](O)[C@@H](OCC(F)(F)F)C2
Standard InChI: InChI=1S/C18H19F6NO4/c19-17(20,21)10-28-14-9-16(6-5-13(14)26)7-8-25(15(16)27)11-1-3-12(4-2-11)29-18(22,23)24/h1-4,13-14,26H,5-10H2/t13-,14-,16-/m0/s1
Standard InChI Key: PPWLUVUZMIXMJC-DZKIICNBSA-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: 427.34 | Molecular Weight (Monoisotopic): 427.1218 | AlogP: 3.80 | #Rotatable Bonds: 4 |
| 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: 3.84 | CX LogD: 3.84 |
| Aromatic Rings: 1 | Heavy Atoms: 29 | QED Weighted: 0.74 | Np Likeness Score: -0.15 |
References
| 1. (2014) SEC-hydroxycyclohexyl derivatives, |
Source
Source(1):