rac-2-(7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl)-8-(pyrrolidin-3-ylmethoxy)quinoline

ID: ALA3109350

Chembl Id: CHEMBL3109350

PubChem CID: 25098432

Max Phase: Preclinical

Molecular Formula: C24H26N4O3

Molecular Weight: 418.50

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Canonical SMILES:  COCCOc1ccn2c(-c3ccc4cccc(OCC5CCNC5)c4n3)cnc2c1

Standard InChI:  InChI=1S/C24H26N4O3/c1-29-11-12-30-19-8-10-28-21(15-26-23(28)13-19)20-6-5-18-3-2-4-22(24(18)27-20)31-16-17-7-9-25-14-17/h2-6,8,10,13,15,17,25H,7,9,11-12,14,16H2,1H3

Standard InChI Key:  IQACVVFBPSXQID-UHFFFAOYSA-N

Associated Targets(Human)

CSF1R Tclin Macrophage colony stimulating factor receptor (5179 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

Pdgfrb Platelet-derived growth factor receptor beta (494 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 418.50Molecular Weight (Monoisotopic): 418.2005AlogP: 3.56#Rotatable Bonds: 8
Polar Surface Area: 69.91Molecular Species: BASEHBA: 7HBD: 1
#RO5 Violations: HBA (Lipinski): 7HBD (Lipinski): 1#RO5 Violations (Lipinski):
CX Acidic pKa: CX Basic pKa: 10.99CX LogP: 2.21CX LogD: -0.87
Aromatic Rings: 4Heavy Atoms: 31QED Weighted: 0.44Np Likeness Score: -1.13

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.,  (1): [PMID:24900776] [10.1021/ml4003953]

Source