| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3716220
Max Phase: Preclinical
Molecular Formula: C32H24FN3O4
Molecular Weight: 533.56
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(NC(Cc1ccc(OCc2ccc(F)cc2)cc1)C(=O)O)c1cn2ccc(C#Cc3ccccc3)cc2n1
Standard InChI: InChI=1S/C32H24FN3O4/c33-26-12-8-25(9-13-26)21-40-27-14-10-23(11-15-27)18-28(32(38)39)35-31(37)29-20-36-17-16-24(19-30(36)34-29)7-6-22-4-2-1-3-5-22/h1-5,8-17,19-20,28H,18,21H2,(H,35,37)(H,38,39)
Standard InChI Key: KCZKTGIANOSJNM-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: 533.56 | Molecular Weight (Monoisotopic): 533.1751 | AlogP: 4.88 | #Rotatable Bonds: 8 |
| Polar Surface Area: 92.93 | Molecular Species: ACID | HBA: 5 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 2.72 | CX Basic pKa: 3.59 | CX LogP: 5.17 | CX LogD: 2.32 |
| Aromatic Rings: 5 | Heavy Atoms: 40 | QED Weighted: 0.28 | Np Likeness Score: -1.12 |
References
| 1. (2010) Regulating agent of GPR34 receptor function, |
Source
Source(1):