| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA461927
Max Phase: Preclinical
Molecular Formula: C29H32N6O
Molecular Weight: 480.62
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2ccccc2)c[nH]1
Standard InChI: InChI=1S/C29H32N6O/c1-21-8-13-25(18-26(21)32-29-30-19-27(33-29)23-6-4-3-5-7-23)31-28(36)24-11-9-22(10-12-24)20-35-16-14-34(2)15-17-35/h3-13,18-19H,14-17,20H2,1-2H3,(H,31,36)(H2,30,32,33)
Standard InChI Key: PYBAZHGZNAJHSN-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: 480.62 | Molecular Weight (Monoisotopic): 480.2638 | AlogP: 5.13 | #Rotatable Bonds: 7 |
| Polar Surface Area: 76.29 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.51 | CX Basic pKa: 8.04 | CX LogP: 5.41 | CX LogD: 4.44 |
| Aromatic Rings: 4 | Heavy Atoms: 36 | QED Weighted: 0.34 | Np Likeness Score: -1.56 |
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):