| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA461926
Max Phase: Preclinical
Molecular Formula: C22H19N5O
Molecular Weight: 369.43
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nc(-c2ccncc2)c[nH]1
Standard InChI: InChI=1S/C22H19N5O/c1-15-7-8-18(25-21(28)17-5-3-2-4-6-17)13-19(15)26-22-24-14-20(27-22)16-9-11-23-12-10-16/h2-14H,1H3,(H,25,28)(H2,24,26,27)
Standard InChI Key: PKLGMAIBQNEJHW-UHFFFAOYSA-N
Associated Targets(non-human)
Platelet-derived growth factor receptor 285 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: 369.43 | Molecular Weight (Monoisotopic): 369.1590 | AlogP: 4.78 | #Rotatable Bonds: 5 |
| Polar Surface Area: 82.70 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.39 | CX Basic pKa: 7.58 | CX LogP: 4.40 | CX LogD: 4.02 |
| Aromatic Rings: 4 | Heavy Atoms: 28 | QED Weighted: 0.47 | Np Likeness Score: -1.51 |
References
| 1. Mahboobi S, Sellmer A, Eswayah A, Elz S, Uecker A, Böhmer FD.. (2008) Inhibition of PDGFR tyrosine kinase activity by a series of novel N-(3-(4-(pyridin-3-yl)-1H-imidazol-2-ylamino)phenyl)amides: a SAR study on the bioisosterism of pyrimidine and imidazole., 43 (7): [PMID:17983688] [10.1016/j.ejmech.2007.09.021] |
Source
Source(1):