| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3643705
Max Phase: Preclinical
Molecular Formula: C18H22F3NO4
Molecular Weight: 373.37
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCO[C@@H]1C[C@@]2(CC[C@H]1O)CCN(c1ccc(OC(F)(F)F)cc1)C2=O
Standard InChI: InChI=1S/C18H22F3NO4/c1-2-25-15-11-17(8-7-14(15)23)9-10-22(16(17)24)12-3-5-13(6-4-12)26-18(19,20)21/h3-6,14-15,23H,2,7-11H2,1H3/t14-,15-,17-/m1/s1
Standard InChI Key: JNJPMTLZSXBHIJ-BFYDXBDKSA-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: 373.37 | Molecular Weight (Monoisotopic): 373.1501 | AlogP: 3.26 | #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: 3.24 | CX LogD: 3.24 |
| Aromatic Rings: 1 | Heavy Atoms: 26 | QED Weighted: 0.88 | Np Likeness Score: -0.03 |
References
| 1. (2014) SEC-hydroxycyclohexyl derivatives, |
Source
Source(1):