| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3642243
Max Phase: Preclinical
Molecular Formula: C18H25F3N2O2
Molecular Weight: 358.40
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(N1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1)C(F)(F)F
Standard InChI: InChI=1S/C18H25F3N2O2/c19-18(20,21)16(25)23-3-1-14(2-4-23)22-15(24)17-8-11-5-12(9-17)7-13(6-11)10-17/h11-14H,1-10H2,(H,22,24)
Standard InChI Key: CRYFMZCAXMLESD-UHFFFAOYSA-N
Associated Targets(Human)
Epoxide hydrolase 1 644 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: 358.40 | Molecular Weight (Monoisotopic): 358.1868 | AlogP: 2.87 | #Rotatable Bonds: 2 |
| Polar Surface Area: 49.41 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 0.99 | CX LogP: 2.18 | CX LogD: 2.18 |
| Aromatic Rings: 0 | Heavy Atoms: 25 | QED Weighted: 0.83 | Np Likeness Score: -1.21 |
References
| 1. (2013) Conformationally restricted urea inhibitors of soluble epoxide hydrolase, |
Source
Source(1):