| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3643707
Max Phase: Preclinical
Molecular Formula: C17H20F3NO4
Molecular Weight: 359.34
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CO[C@@H]1C[C@@]2(CC[C@H]1O)CCN(c1ccc(OC(F)(F)F)cc1)C2=O
Standard InChI: InChI=1S/C17H20F3NO4/c1-24-14-10-16(7-6-13(14)22)8-9-21(15(16)23)11-2-4-12(5-3-11)25-17(18,19)20/h2-5,13-14,22H,6-10H2,1H3/t13-,14-,16-/m1/s1
Standard InChI Key: SUYFLKVYVRWKMI-IIAWOOMASA-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: 359.34 | Molecular Weight (Monoisotopic): 359.1344 | AlogP: 2.87 | #Rotatable Bonds: 3 |
| 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: 2.88 | CX LogD: 2.88 |
| Aromatic Rings: 1 | Heavy Atoms: 25 | QED Weighted: 0.90 | Np Likeness Score: 0.15 |
References
| 1. (2014) SEC-hydroxycyclohexyl derivatives, |
Source
Source(1):