Details of the Drug

General Information of Drug (ID: DMYSWG1)

Drug Name	Carbamide derivative 20
Synonyms	PMID28621580-Compound-WO2013037292c17
Drug Type	Small molecular drug
Structure
Structure	3D MOL	2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	487.9
	Logarithm of the Partition Coefficient (xlogp)	5
	Rotatable Bond Count (rotbonds)	5
	Hydrogen Bond Donor Count (hbonddonor)	3
	Hydrogen Bond Acceptor Count (hbondacc)	8
Chemical Identifiers	Formula C23H17ClF3N5O2 IUPAC Name 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[8-(methylamino)-1,7-naphthyridin-4-yl]oxy]phenyl]urea Canonical SMILES CNC1=NC=CC2=C(C=CN=C21)OC3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F InChI InChI=1S/C23H17ClF3N5O2/c1-28-21-20-16(8-10-30-21)19(9-11-29-20)34-15-5-2-13(3-6-15)31-22(33)32-14-4-7-18(24)17(12-14)23(25,26)27/h2-12H,1H3,(H,28,30)(H2,31,32,33) InChIKey ORNWLDOEVOUMBW-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 60171803 TTD ID D0VI1V

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Vascular endothelial growth factor A (VEGFA)	TTOHSBA	VEGFA_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Vascular endothelial growth factor A (VEGFA)	DTT	VEGFA	3.61E-01	0.15	0.47

Molecular Expression Atlas (MEA)

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References

1	VEGFR-2 inhibitors and the therapeutic applications thereof: a patent review (2012-2016).Expert Opin Ther Pat. 2017 Sep;27(9):987-1004.