| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3690102
Max Phase: Preclinical
Molecular Formula: C20H26F4N2O4
Molecular Weight: 434.43
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C[C@H](Oc1ccc(N2CC[C@]3(CC[C@@](O)(COCCF)CC3)C2=O)cn1)C(F)(F)F
Standard InChI: InChI=1S/C20H26F4N2O4/c1-14(20(22,23)24)30-16-3-2-15(12-25-16)26-10-8-18(17(26)27)4-6-19(28,7-5-18)13-29-11-9-21/h2-3,12,14,28H,4-11,13H2,1H3/t14-,18-,19+/m0/s1
Standard InChI Key: KJGFPRVHPPISPG-ZOCIIQOWSA-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: 434.43 | Molecular Weight (Monoisotopic): 434.1829 | AlogP: 3.43 | #Rotatable Bonds: 7 |
| Polar Surface Area: 71.89 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 1.84 | CX LogP: 2.55 | CX LogD: 2.55 |
| Aromatic Rings: 1 | Heavy Atoms: 30 | QED Weighted: 0.53 | Np Likeness Score: -0.30 |
References
| 1. (2014) Azaspirodecanone compounds, |
Source
Source(1):