3-(4-cyanophenyl)-N-methyl-N-phenylimidazo[1,2-a]pyridine-6-carboxamide

ID: ALA3325595

Chembl Id: CHEMBL3325595

PubChem CID: 118711052

Max Phase: Preclinical

Molecular Formula: C22H16N4O

Molecular Weight: 352.40

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Canonical SMILES:  CN(C(=O)c1ccc2ncc(-c3ccc(C#N)cc3)n2c1)c1ccccc1

Standard InChI:  InChI=1S/C22H16N4O/c1-25(19-5-3-2-4-6-19)22(27)18-11-12-21-24-14-20(26(21)15-18)17-9-7-16(13-23)8-10-17/h2-12,14-15H,1H3

Standard InChI Key:  SZTIJPADKKCCKK-UHFFFAOYSA-N

Alternative Forms

  1. Parent:

    ALA3325595

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Associated Targets(non-human)

Plasmodium cynomolgi (553 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium yoelii (6656 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 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: 352.40Molecular Weight (Monoisotopic): 352.1324AlogP: 4.15#Rotatable Bonds: 3
Polar Surface Area: 61.40Molecular Species: NEUTRALHBA: 4HBD:
#RO5 Violations: HBA (Lipinski): 5HBD (Lipinski): #RO5 Violations (Lipinski):
CX Acidic pKa: CX Basic pKa: 5.42CX LogP: 3.14CX LogD: 3.13
Aromatic Rings: 4Heavy Atoms: 27QED Weighted: 0.56Np Likeness Score: -1.92

References

1. Zou B, Nagle A, Chatterjee AK, Leong SY, Tan LJ, Sim WL, Mishra P, Guntapalli P, Tully DC, Lakshminarayana SB, Lim CS, Tan YC, Abas SN, Bodenreider C, Kuhen KL, Gagaring K, Borboa R, Chang J, Li C, Hollenbeck T, Tuntland T, Zeeman AM, Kocken CH, McNamara C, Kato N, Winzeler EA, Yeung BK, Diagana TT, Smith PW, Roland J..  (2014)  Lead optimization of imidazopyrazines: a new class of antimalarial with activity on Plasmodium liver stages.,  (8): [PMID:25147620] [10.1021/ml500244m]

Source