7X2

N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3,4,5- TRIMETHOXYPHENYL)PYRIMIDINE-2,4-DIAMINE

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Chemical Component Summary
Name	N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3,4,5- TRIMETHOXYPHENYL)PYRIMIDINE-2,4-DIAMINE
Identifiers	N'-(5-chloro-1,3-benzodioxol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
Formula	C₂₀ H₁₉ Cl N₄ O₅
Molecular Weight	430.842
Type	NON-POLYMER
Isomeric SMILES	COc1cc(cc(c1OC)OC)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl
InChI	InChI=1S/C20H19ClN4O5/c1-26-14-8-11(9-15(27-2)18(14)28-3)23-20-22-7-6-16(25-20)24-17-12(21)4-5-13-19(17)30-10-29-13/h4-9H,10H2,1-3H3,(H2,22,23,24,25)
InChIKey	HMKLUOPMOJOUDZ-UHFFFAOYSA-N

Chemical Details
Formal Charge	0
Atom Count	49
Chiral Atom Count	0
Bond Count	52
Aromatic Bond Count	18

Drug Info: DrugBank

DrugBank ID	DB07250
Name	N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3,4,5- TRIMETHOXYPHENYL)PYRIMIDINE-2,4-DIAMINE
Groups	experimental
Synonyms	N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3,4,5- TRIMETHOXYPHENYL)PYRIMIDINE-2,4-DIAMINE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Ephrin type-B receptor 4	MELRVLLCWASLAAALEETLLNTKLETADLKWVTFPQVDGQWEELSGLDE...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682