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ID: ALA3109339
Max Phase: Preclinical
Molecular Formula: C24H28N4O3
Molecular Weight: 420.51
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COCCOc1ccn2c(-c3ccc4cccc(OCC(C)(C)CN)c4n3)cnc2c1
Standard InChI: InChI=1S/C24H28N4O3/c1-24(2,15-25)16-31-21-6-4-5-17-7-8-19(27-23(17)21)20-14-26-22-13-18(9-10-28(20)22)30-12-11-29-3/h4-10,13-14H,11-12,15-16,25H2,1-3H3
Standard InChI Key: OEQLYHXNGSLNQN-UHFFFAOYSA-N
Associated Targets(Human)
KIT Tclin Stem cell growth factor receptor (10667 Activities)
KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)
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CSF1R Tclin Macrophage colony stimulating factor receptor (5179 Activities)
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FLT3 Tclin Tyrosine-protein kinase receptor FLT3 (13481 Activities)
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Associated Targets(non-human)
Pdgfrb Platelet-derived growth factor receptor beta (494 Activities)
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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 |
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Mechanisms of Action
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Properties
| Molecular Weight: 420.51 | Molecular Weight (Monoisotopic): 420.2161 | AlogP: 3.94 | #Rotatable Bonds: 9 |
| Polar Surface Area: 83.90 | Molecular Species: BASE | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.65 | CX LogP: 2.74 | CX LogD: 0.55 |
| Aromatic Rings: 4 | Heavy Atoms: 31 | QED Weighted: 0.41 | Np Likeness Score: -1.10 |
References
| 1. Hicken EJ, Marmsater FP, Munson MC, Schlachter ST, Robinson JE, Allen S, Burgess LE, DeLisle RK, Rizzi JP, Topalov GT, Zhao Q, Hicks JM, Kallan NC, Tarlton E, Allen A, Callejo M, Cox A, Rana S, Klopfenstein N, Woessner R, Lyssikatos JP.. (2014) Discovery of a Novel Class of Imidazo[1,2-a]Pyridines with Potent PDGFR Activity and Oral Bioavailability., 5 (1): [PMID:24900776] [10.1021/ml4003953] |
Source
Source(1):