Details of the Drug | DrugMAP

General Information of Drug (ID: DMMJ5SN)

Drug Name	PMID28766366-Compound-Scheme12-1
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			412.5
	Logarithm of the Partition Coefficient (xlogp)			2.9
	Rotatable Bond Count (rotbonds)			5
	Hydrogen Bond Donor Count (hbonddonor)			2
	Hydrogen Bond Acceptor Count (hbondacc)			5
Chemical Identifiers	Formula C24H24N6O IUPAC Name 5-[5-(piperidin-1-ylmethyl)pyridin-3-yl]-N-pyridin-3-yl-1H-indazole-3-carboxamide Canonical SMILES C1CCN(CC1)CC2=CC(=CN=C2)C3=CC4=C(C=C3)NN=C4C(=O)NC5=CN=CC=C5 InChI InChI=1S/C24H24N6O/c31-24(27-20-5-4-8-25-15-20)23-21-12-18(6-7-22(21)28-29-23)19-11-17(13-26-14-19)16-30-9-2-1-3-10-30/h4-8,11-15H,1-3,9-10,16H2,(H,27,31)(H,28,29) InChIKey VCNIUYPAMGFBLR-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 89450758 TTD ID D06TIU

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.