Details of the Drug | DrugMAP

General Information of Drug (ID: DMBN3X4)

Drug Name	PMID28766366-Compound-Scheme11
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			318.3
	Logarithm of the Partition Coefficient (xlogp)			3.5
	Rotatable Bond Count (rotbonds)			2
	Hydrogen Bond Donor Count (hbonddonor)			4
	Hydrogen Bond Acceptor Count (hbondacc)			4
Chemical Identifiers	Formula C19H14N2O3 IUPAC Name 4-[3-(4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzene-1,2-diol Canonical SMILES C1=CC(=CC=C1C2=CNC3=C2C=C(C=N3)C4=CC(=C(C=C4)O)O)O InChI InChI=1S/C19H14N2O3/c22-14-4-1-11(2-5-14)16-10-21-19-15(16)7-13(9-20-19)12-3-6-17(23)18(24)8-12/h1-10,22-24H,(H,20,21) InChIKey HBCKPNCVCXUSEU-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 72792831 TTD ID D0X8NN

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.