| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3746588
Max Phase: Preclinical
Molecular Formula: C28H35N3O5
Molecular Weight: 493.60
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCNC(=O)c1cc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)ccc1NCCCCCC
Standard InChI: InChI=1S/C28H35N3O5/c1-3-5-7-9-15-29-24-14-12-20(18-23(24)25(32)30-16-10-8-6-4-2)31-26(33)21-13-11-19(28(35)36)17-22(21)27(31)34/h11-14,17-18,29H,3-10,15-16H2,1-2H3,(H,30,32)(H,35,36)
Standard InChI Key: UNLLLULQXIPCAO-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: 493.60 | Molecular Weight (Monoisotopic): 493.2577 | AlogP: 5.49 | #Rotatable Bonds: 14 |
| Polar Surface Area: 115.81 | Molecular Species: ACID | HBA: 5 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 3.54 | CX Basic pKa: 2.53 | CX LogP: 5.60 | CX LogD: 2.48 |
| Aromatic Rings: 2 | Heavy Atoms: 36 | QED Weighted: 0.24 | Np Likeness Score: -0.95 |
References
| 1. Caraballo R, Larsson M, Nilsson SK, Ericsson M, Qian W, Nguyen Tran NP, Kindahl T, Svensson R, Saar V, Artursson P, Olivecrona G, Enquist PA, Elofsson M.. (2015) Structure-activity relationships for lipoprotein lipase agonists that lower plasma triglycerides in vivo., 103 [PMID:26355531] [10.1016/j.ejmech.2015.08.058] |
Source
Source(1):