| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3920369
Max Phase: Preclinical
Molecular Formula: C23H28FN3O
Molecular Weight: 381.50
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cccnc1CN1CCN(C(=O)C2(c3ccc(F)cc3)CC2(C)C)CC1
Standard InChI: InChI=1S/C23H28FN3O/c1-17-5-4-10-25-20(17)15-26-11-13-27(14-12-26)21(28)23(16-22(23,2)3)18-6-8-19(24)9-7-18/h4-10H,11-16H2,1-3H3
Standard InChI Key: CXGBMYBTVGBVIQ-UHFFFAOYSA-N
Associated Targets(non-human)
Lipoprotein lipase 268 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: 381.50 | Molecular Weight (Monoisotopic): 381.2216 | AlogP: 3.54 | #Rotatable Bonds: 4 |
| Polar Surface Area: 36.44 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 6.32 | CX LogP: 3.57 | CX LogD: 3.53 |
| Aromatic Rings: 2 | Heavy Atoms: 28 | QED Weighted: 0.81 | Np Likeness Score: -1.01 |
References
| 1. Geldenhuys WJ, Caporoso J, Leeper TC, Lee YK, Lin L, Darvesh AS, Sadana P.. (2017) Structure-activity and in vivo evaluation of a novel lipoprotein lipase (LPL) activator., 27 (2): [PMID:27913180] [10.1016/j.bmcl.2016.11.053] |
Source
Source(1):