ID: ALA474525

Max Phase: Preclinical

Molecular Formula: C24H23N5O

Molecular Weight: 397.48

Molecule Type: Small molecule

Associated Items:

Representations

Canonical SMILES:  CCc1ccc(NC(=O)c2cccc(C)c2)cc1Nc1nc(-c2cccnc2)c[nH]1

Standard InChI:  InChI=1S/C24H23N5O/c1-3-17-9-10-20(27-23(30)18-7-4-6-16(2)12-18)13-21(17)28-24-26-15-22(29-24)19-8-5-11-25-14-19/h4-15H,3H2,1-2H3,(H,27,30)(H2,26,28,29)

Standard InChI Key:  NBYOBEJEMABMLZ-UHFFFAOYSA-N

Associated Targets(non-human)

Platelet-derived growth factor receptor 285 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

Properties

Molecular Weight: 397.48Molecular Weight (Monoisotopic): 397.1903AlogP: 5.34#Rotatable Bonds: 6
Polar Surface Area: 82.70Molecular Species: NEUTRALHBA: 4HBD: 3
#RO5 Violations: 1HBA (Lipinski): 6HBD (Lipinski): 3#RO5 Violations (Lipinski): 1
CX Acidic pKa: 13.14CX Basic pKa: 7.53CX LogP: 5.36CX LogD: 5.00
Aromatic Rings: 4Heavy Atoms: 30QED Weighted: 0.41Np Likeness Score: -1.64

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