| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3746865
Max Phase: Preclinical
Molecular Formula: C28H21N5O5
Molecular Weight: 507.51
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(NCc3cccnc3)c(C(=O)NCc3cccnc3)c1)C2=O
Standard InChI: InChI=1S/C28H21N5O5/c34-25(32-16-18-4-2-10-30-14-18)23-12-20(6-8-24(23)31-15-17-3-1-9-29-13-17)33-26(35)21-7-5-19(28(37)38)11-22(21)27(33)36/h1-14,31H,15-16H2,(H,32,34)(H,37,38)
Standard InChI Key: JNFVXVKOMWZTBR-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: 507.51 | Molecular Weight (Monoisotopic): 507.1543 | AlogP: 3.52 | #Rotatable Bonds: 8 |
| Polar Surface Area: 141.59 | Molecular Species: ACID | HBA: 7 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 10 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 3.45 | CX Basic pKa: 5.13 | CX LogP: 1.06 | CX LogD: -0.69 |
| Aromatic Rings: 4 | Heavy Atoms: 38 | QED Weighted: 0.31 | Np Likeness Score: -1.33 |
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):