| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3719048
Max Phase: Preclinical
Molecular Formula: C31H26ClNO4
Molecular Weight: 512.01
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(Cc1ccc(OCc2ccccc2)cc1)NC1(C(=O)O)Cc2ccc(-c3ccc(Cl)cc3)cc2C1
Standard InChI: InChI=1S/C31H26ClNO4/c32-27-12-10-23(11-13-27)24-8-9-25-18-31(30(35)36,19-26(25)17-24)33-29(34)16-21-6-14-28(15-7-21)37-20-22-4-2-1-3-5-22/h1-15,17H,16,18-20H2,(H,33,34)(H,35,36)
Standard InChI Key: JRPNXMGTTZYZLJ-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: 512.01 | Molecular Weight (Monoisotopic): 511.1550 | AlogP: 5.87 | #Rotatable Bonds: 8 |
| Polar Surface Area: 75.63 | Molecular Species: ACID | HBA: 3 | HBD: 2 |
| #RO5 Violations: 2 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 3.69 | CX Basic pKa: | CX LogP: 6.66 | CX LogD: 3.36 |
| Aromatic Rings: 4 | Heavy Atoms: 37 | QED Weighted: 0.31 | Np Likeness Score: -0.62 |
References
| 1. (2010) Regulating agent of GPR34 receptor function, |
Source
Source(1):