| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3746381
Max Phase: Preclinical
Molecular Formula: C28H25N3O5
Molecular Weight: 483.52
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(NC(=O)c2cc(N3C(=O)c4ccc(C(=O)O)cc4C3=O)ccc2N2CCCCC2)cc1
Standard InChI: InChI=1S/C28H25N3O5/c1-17-5-8-19(9-6-17)29-25(32)23-16-20(10-12-24(23)30-13-3-2-4-14-30)31-26(33)21-11-7-18(28(35)36)15-22(21)27(31)34/h5-12,15-16H,2-4,13-14H2,1H3,(H,29,32)(H,35,36)
Standard InChI Key: BRZAMKDHLIXUND-UHFFFAOYSA-N
Associated Targets(Human)
Plasma 7708 Activities
Associated Targets(non-human)
Lipoprotein lipase 268 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mus musculus 284745 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
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Properties
| Molecular Weight: 483.52 | Molecular Weight (Monoisotopic): 483.1794 | AlogP: 4.74 | #Rotatable Bonds: 5 |
| Polar Surface Area: 107.02 | Molecular Species: ACID | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.78 | CX Basic pKa: 3.18 | CX LogP: 4.09 | CX LogD: 1.42 |
| Aromatic Rings: 3 | Heavy Atoms: 36 | QED Weighted: 0.51 | Np Likeness Score: -1.38 |
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):