| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3676940
Max Phase: Preclinical
Molecular Formula: C13H14ClN3O3
Molecular Weight: 295.73
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1CCN(C(=O)Oc2noc3nc(Cl)ccc23)CC1
Standard InChI: InChI=1S/C13H14ClN3O3/c1-8-4-6-17(7-5-8)13(18)19-12-9-2-3-10(14)15-11(9)20-16-12/h2-3,8H,4-7H2,1H3
Standard InChI Key: CFIBZXLJVSTORP-UHFFFAOYSA-N
Associated Targets(non-human)
Hormone-sensitive lipase 209 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: 295.73 | Molecular Weight (Monoisotopic): 295.0724 | AlogP: 3.11 | #Rotatable Bonds: 1 |
| Polar Surface Area: 68.46 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.78 | CX LogD: 2.78 |
| Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.76 | Np Likeness Score: -1.22 |
References
| 1. (2014) Azole derivatives in the form of lipase and phospholipase inhibitors, |
Source
Source(1):