| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3719252
Max Phase: Preclinical
Molecular Formula: C31H26ClN3O4
Molecular Weight: 540.02
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(C(=O)c1cn2ccc(-c3ccc(Cl)cc3)cc2n1)C(Cc1ccc(OCc2ccccc2)cc1)C(=O)O
Standard InChI: InChI=1S/C31H26ClN3O4/c1-34(28(31(37)38)17-21-7-13-26(14-8-21)39-20-22-5-3-2-4-6-22)30(36)27-19-35-16-15-24(18-29(35)33-27)23-9-11-25(32)12-10-23/h2-16,18-19,28H,17,20H2,1H3,(H,37,38)
Standard InChI Key: XUGNBLRFDYSRMX-UHFFFAOYSA-N
Associated Targets(Human)
Probable G-protein coupled receptor 34 197 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: 540.02 | Molecular Weight (Monoisotopic): 539.1612 | AlogP: 6.00 | #Rotatable Bonds: 9 |
| Polar Surface Area: 84.14 | Molecular Species: ACID | HBA: 5 | HBD: 1 |
| #RO5 Violations: 2 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 3.82 | CX Basic pKa: 2.95 | CX LogP: 5.48 | CX LogD: 2.63 |
| Aromatic Rings: 5 | Heavy Atoms: 39 | QED Weighted: 0.25 | Np Likeness Score: -1.00 |
References
| 1. (2010) Regulating agent of GPR34 receptor function, |
Source
Source(1):