| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA223927
Max Phase: Preclinical
Molecular Formula: C14H11ClF3N3O
Molecular Weight: 329.71
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Nc1ccc(Cl)cc1NC(=O)Nc1cccc(C(F)(F)F)c1
Standard InChI: InChI=1S/C14H11ClF3N3O/c15-9-4-5-11(19)12(7-9)21-13(22)20-10-3-1-2-8(6-10)14(16,17)18/h1-7H,19H2,(H2,20,21,22)
Standard InChI Key: CFQUOVAZWRNRSC-UHFFFAOYSA-N
Associated Targets(Human)
Glutamate receptor ionotropic kainate 1 340 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: 329.71 | Molecular Weight (Monoisotopic): 329.0543 | AlogP: 4.59 | #Rotatable Bonds: 2 |
| Polar Surface Area: 67.15 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.29 | CX Basic pKa: 2.28 | CX LogP: 3.77 | CX LogD: 3.77 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.71 | Np Likeness Score: -2.00 |
References
| 1. Valgeirsson J, Nielsen EO, Peters D, Mathiesen C, Kristensen AS, Madsen U.. (2004) Bioisosteric modifications of 2-arylureidobenzoic acids: selective noncompetitive antagonists for the homomeric kainate receptor subtype GluR5., 47 (27): [PMID:15615543] [10.1021/jm030638w] |
Source
Source(1):