| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2111669
Max Phase: Preclinical
Molecular Formula: C18H23N3O4
Molecular Weight: 345.40
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1cc2ncc(N[C@H]3CC[C@@H](C(=O)OC)CC3)nc2cc1OC
Standard InChI: InChI=1S/C18H23N3O4/c1-23-15-8-13-14(9-16(15)24-2)21-17(10-19-13)20-12-6-4-11(5-7-12)18(22)25-3/h8-12H,4-7H2,1-3H3,(H,20,21)/t11-,12+
Standard InChI Key: FTXKUBNATJTYSH-TXEJJXNPSA-N
Associated Targets(Human)
Platelet-derived growth factor receptor 507 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: 345.40 | Molecular Weight (Monoisotopic): 345.1689 | AlogP: 2.79 | #Rotatable Bonds: 5 |
| Polar Surface Area: 82.57 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.50 | CX LogP: 2.22 | CX LogD: 2.22 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.83 | Np Likeness Score: -0.80 |
References
| 1. He W, Myers MR, Hanney B, Spada AP, Bilder G, Galzcinski H, Amin D, Needle S, Page K, Jayyosi Z, Perrone MH.. (2003) Potent quinoxaline-based inhibitors of PDGF receptor tyrosine kinase activity. Part 2: the synthesis and biological activities of RPR127963 an orally bioavailable inhibitor., 13 (18): [PMID:12941342] [10.1016/s0960-894x(03)00655-3] |
Source
Source(1):