Details of the Drug | DrugMAP

General Information of Drug (ID: DMYRG0Q)

Drug Name	PMID27109571-Compound-4
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			248.32
	Logarithm of the Partition Coefficient (xlogp)			1.9
	Rotatable Bond Count (rotbonds)			6
	Hydrogen Bond Donor Count (hbonddonor)			0
	Hydrogen Bond Acceptor Count (hbondacc)			4
Chemical Identifiers	Formula C14H20N2O2 IUPAC Name ethyl 6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxylate Canonical SMILES CCOC(=O)C1=CN=C(C=C1)CCN2CCCC2 InChI InChI=1S/C14H20N2O2/c1-2-18-14(17)12-5-6-13(15-11-12)7-10-16-8-3-4-9-16/h5-6,11H,2-4,7-10H2,1H3 InChIKey MBNVMBKJYZXTNI-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 68060544 TTD ID D01ENV

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]

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

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.