| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA473321
Max Phase: Preclinical
Molecular Formula: C27H29N7O
Molecular Weight: 467.58
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN1CCN(Cc2ccc(C(=O)Nc3cccc(Nc4nc(-c5cccnc5)c[nH]4)c3)cc2)CC1
Standard InChI: InChI=1S/C27H29N7O/c1-33-12-14-34(15-13-33)19-20-7-9-21(10-8-20)26(35)30-23-5-2-6-24(16-23)31-27-29-18-25(32-27)22-4-3-11-28-17-22/h2-11,16-18H,12-15,19H2,1H3,(H,30,35)(H2,29,31,32)
Standard InChI Key: KZYJNUNLHGAVQH-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: 467.58 | Molecular Weight (Monoisotopic): 467.2434 | AlogP: 4.22 | #Rotatable Bonds: 7 |
| Polar Surface Area: 89.18 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.14 | CX Basic pKa: 8.01 | CX LogP: 3.67 | CX LogD: 2.74 |
| Aromatic Rings: 4 | Heavy Atoms: 35 | QED Weighted: 0.38 | Np Likeness Score: -1.61 |
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):