| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3639386
Max Phase: Preclinical
Molecular Formula: C14H15ClN2O3
Molecular Weight: 294.74
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1CCN(C(=O)Oc2noc3cc(Cl)ccc23)CC1
Standard InChI: InChI=1S/C14H15ClN2O3/c1-9-4-6-17(7-5-9)14(18)19-13-11-3-2-10(15)8-12(11)20-16-13/h2-3,8-9H,4-7H2,1H3
Standard InChI Key: RZXFNVAKZVSBDJ-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: 294.74 | Molecular Weight (Monoisotopic): 294.0771 | AlogP: 3.71 | #Rotatable Bonds: 1 |
| Polar Surface Area: 55.57 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.41 | CX LogD: 3.41 |
| Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.80 | Np Likeness Score: -1.28 |
References
| 1. (2014) Azole derivatives in the form of lipase and phospholipase inhibitors, |
Source
Source(1):