Details of the Drug | DrugMAP

General Information of Drug (ID: DMTD1X8)

Drug Name	PMID27109571-Compound-2
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			264.32
	Logarithm of the Partition Coefficient (xlogp)			1
	Rotatable Bond Count (rotbonds)			6
	Hydrogen Bond Donor Count (hbonddonor)			0
	Hydrogen Bond Acceptor Count (hbondacc)			5
Chemical Identifiers	Formula C14H20N2O3 IUPAC Name ethyl 6-(2-morpholin-4-ylethyl)pyridine-3-carboxylate Canonical SMILES CCOC(=O)C1=CN=C(C=C1)CCN2CCOCC2 InChI InChI=1S/C14H20N2O3/c1-2-19-14(17)12-3-4-13(15-11-12)5-6-16-7-9-18-10-8-16/h3-4,11H,2,5-10H2,1H3 InChIKey XIDYSJNRQHEJQG-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 56592602 TTD ID D0G4IS

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Fatty acid-binding protein (FABP)	TTMY6L1	NOUNIPROTAC	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Fatty acid binding protein (FABP) inhibitors: a patent review (2012-2015).Expert Opin Ther Pat. 2016 Jul;26(7):767-76.