| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3642242
Max Phase: Preclinical
Molecular Formula: C19H30N2O2
Molecular Weight: 318.46
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(=O)N1CCC(NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1
Standard InChI: InChI=1S/C19H30N2O2/c1-13(22)21-4-2-17(3-5-21)20-18(23)12-19-9-14-6-15(10-19)8-16(7-14)11-19/h14-17H,2-12H2,1H3,(H,20,23)
Standard InChI Key: BDWGTDABOCGWQR-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: 318.46 | Molecular Weight (Monoisotopic): 318.2307 | AlogP: 2.72 | #Rotatable Bonds: 3 |
| 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: | CX LogP: 0.98 | CX LogD: 0.98 |
| Aromatic Rings: 0 | Heavy Atoms: 23 | QED Weighted: 0.87 | Np Likeness Score: -0.99 |
References
| 1. (2013) Conformationally restricted urea inhibitors of soluble epoxide hydrolase, |
Source
Source(1):