| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3745828
Max Phase: Preclinical
Molecular Formula: C27H24N4O5
Molecular Weight: 484.51
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(N3CCCCC3)c(C(=O)NCc3cccnc3)c1)C2=O
Standard InChI: InChI=1S/C27H24N4O5/c32-24(29-16-17-5-4-10-28-15-17)22-14-19(7-9-23(22)30-11-2-1-3-12-30)31-25(33)20-8-6-18(27(35)36)13-21(20)26(31)34/h4-10,13-15H,1-3,11-12,16H2,(H,29,32)(H,35,36)
Standard InChI Key: CNSRWKBFBLIQCM-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: 484.51 | Molecular Weight (Monoisotopic): 484.1747 | AlogP: 3.50 | #Rotatable Bonds: 6 |
| Polar Surface Area: 119.91 | Molecular Species: ACID | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.30 | CX Basic pKa: 4.87 | CX LogP: 1.54 | CX LogD: -0.47 |
| Aromatic Rings: 3 | Heavy Atoms: 36 | QED Weighted: 0.51 | Np Likeness Score: -1.50 |
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):