| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3717422
Max Phase: Preclinical
Molecular Formula: C31H26ClN3O4
Molecular Weight: 540.02
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(COc2ccc(CC(NC(=O)c3cn4ccc(-c5ccc(Cl)cc5)cc4n3)C(=O)O)cc2)cc1
Standard InChI: InChI=1S/C31H26ClN3O4/c1-20-2-4-22(5-3-20)19-39-26-12-6-21(7-13-26)16-27(31(37)38)34-30(36)28-18-35-15-14-24(17-29(35)33-28)23-8-10-25(32)11-9-23/h2-15,17-18,27H,16,19H2,1H3,(H,34,36)(H,37,38)
Standard InChI Key: SUGCTLMGWFHNMX-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: 5.97 | #Rotatable Bonds: 9 |
| Polar Surface Area: 92.93 | Molecular Species: ACID | HBA: 5 | HBD: 2 |
| #RO5 Violations: 2 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 3.80 | CX Basic pKa: 2.93 | CX LogP: 5.75 | CX LogD: 2.90 |
| Aromatic Rings: 5 | Heavy Atoms: 39 | QED Weighted: 0.24 | Np Likeness Score: -1.09 |
References
| 1. (2010) Regulating agent of GPR34 receptor function, |
Source
Source(1):