Details of the Drug | DrugMAP

General Information of Drug (ID: DM3BA1L)

Drug Name	PMID28766366-Compound-Scheme12-2
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			426.5
	Logarithm of the Partition Coefficient (xlogp)			3.3
	Rotatable Bond Count (rotbonds)			5
	Hydrogen Bond Donor Count (hbonddonor)			2
	Hydrogen Bond Acceptor Count (hbondacc)			5
Chemical Identifiers	Formula C25H26N6O IUPAC Name N-(5-methylpyridin-3-yl)-5-[5-(piperidin-1-ylmethyl)pyridin-3-yl]-1H-indazole-3-carboxamide Canonical SMILES CC1=CC(=CN=C1)NC(=O)C2=NNC3=C2C=C(C=C3)C4=CN=CC(=C4)CN5CCCCC5 InChI InChI=1S/C25H26N6O/c1-17-9-21(15-26-12-17)28-25(32)24-22-11-19(5-6-23(22)29-30-24)20-10-18(13-27-14-20)16-31-7-3-2-4-8-31/h5-6,9-15H,2-4,7-8,16H2,1H3,(H,28,32)(H,29,30) InChIKey LIXXQBRPVXEVJX-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 118381061 TTD ID D0PM1B

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (DYRK1A)	TTSBVFO	DYR1A_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Dual-specificity tyrosine phosphorylation-regulated kinase 1A (DYRK1A) inhibitors: a survey of recent patent literature.Expert Opin Ther Pat. 2017 Nov;27(11):1183-1199.