| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3690103
Max Phase: Preclinical
Molecular Formula: C21H30FNO4
Molecular Weight: 379.47
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)Oc1ccc(N2CC[C@]3(CC[C@@](O)(COCCF)CC3)C2=O)cc1
Standard InChI: InChI=1S/C21H30FNO4/c1-16(2)27-18-5-3-17(4-6-18)23-13-11-20(19(23)24)7-9-21(25,10-8-20)15-26-14-12-22/h3-6,16,25H,7-15H2,1-2H3/t20-,21+
Standard InChI Key: YCNLXCVDSQLZQU-OYRHEFFESA-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: 379.47 | Molecular Weight (Monoisotopic): 379.2159 | AlogP: 3.49 | #Rotatable Bonds: 7 |
| Polar Surface Area: 59.00 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.58 | CX LogD: 2.58 |
| Aromatic Rings: 1 | Heavy Atoms: 27 | QED Weighted: 0.74 | Np Likeness Score: -0.20 |
References
| 1. (2014) Azaspirodecanone compounds, |
Source
Source(1):