Details of the Drug | DrugMAP

General Information of Drug (ID: DM5BG6L)

Drug Name	PMID28766366-Compound-Scheme12-4
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			470.6
	Logarithm of the Partition Coefficient (xlogp)			4
	Rotatable Bond Count (rotbonds)			7
	Hydrogen Bond Donor Count (hbonddonor)			2
	Hydrogen Bond Acceptor Count (hbondacc)			6
Chemical Identifiers	Formula C27H30N6O2 IUPAC Name 5-[5-(piperidin-1-ylmethyl)pyridin-3-yl]-N-(6-propan-2-yloxypyridin-3-yl)-1H-indazole-3-carboxamide Canonical SMILES CC(C)OC1=NC=C(C=C1)NC(=O)C2=NNC3=C2C=C(C=C3)C4=CN=CC(=C4)CN5CCCCC5 InChI InChI=1S/C27H30N6O2/c1-18(2)35-25-9-7-22(16-29-25)30-27(34)26-23-13-20(6-8-24(23)31-32-26)21-12-19(14-28-15-21)17-33-10-4-3-5-11-33/h6-9,12-16,18H,3-5,10-11,17H2,1-2H3,(H,30,34)(H,31,32) InChIKey QWXGMMPJHDIFKI-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 118381715 TTD ID D0K2BT

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]

------------------------------------------------------------------------------------

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.