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2-Hydroxy-5-(6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl)benzamide

ID: ALA3974565

Chembl Id: CHEMBL3974565

PubChem CID: 134154248

Max Phase: Preclinical

Molecular Formula: C21H17N3O3

Molecular Weight: 359.39

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: COc1ccc(-c2ccc3nc(-c4ccc(O)c(C(N)=O)c4)cn3c2)cc1

Standard InChI: InChI=1S/C21H17N3O3/c1-27-16-6-2-13(3-7-16)15-5-9-20-23-18(12-24(20)11-15)14-4-8-19(25)17(10-14)21(22)26/h2-12,25H,1H3,(H2,22,26)

Standard InChI Key: YSQLUJXFTOKHMR-UHFFFAOYSA-N

CLK1 Tchem Dual specificty protein kinase CLK1 (2189 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DYRK1A Tchem Dual-specificity tyrosine-phosphorylation regulated kinase 1A (6484 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GSK3A Tclin Glycogen synthase kinase-3 (736 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CSNK1D Tchem Casein kinase I delta/epsilon (43 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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

MESH ID	MESH Heading	EFO IDs	EFO Terms	Max Phase for Indication	References

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Molecular Weight: 359.39	Molecular Weight (Monoisotopic): 359.1270	AlogP: 3.48	#Rotatable Bonds: 4
Polar Surface Area: 89.85	Molecular Species: NEUTRAL	HBA: 5	HBD: 2
#RO5 Violations: 0	HBA (Lipinski): 6	HBD (Lipinski): 3	#RO5 Violations (Lipinski): 0
CX Acidic pKa: 7.73	CX Basic pKa: 5.42	CX LogP: 3.48	CX LogD: 3.31
Aromatic Rings: 4	Heavy Atoms: 27	QED Weighted: 0.58	Np Likeness Score: -1.06

1. Lawson M, Rodrigo J, Baratte B, Robert T, Delehouzé C, Lozach O, Ruchaud S, Bach S, Brion JD, Alami M, Hamze A.. (2016) Synthesis, biological evaluation and molecular modeling studies of imidazo[1,2-a]pyridines derivatives as protein kinase inhibitors., 123 [PMID:27474927] [10.1016/j.ejmech.2016.07.040]

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