Chemical Component Summary

Name1-[3-(4-BROMO-PHENOXY)-PROPOXY]-6,6-DIMETHYL-1.6-DIHYDRO-[1,3,5]TRIAZINE-2,4-DIAMINE
SynonymsBROMO-WR99210
Identifiers1-[3-(4-bromophenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
FormulaC14 H20 Br N5 O2
Molecular Weight370.245
TypeNON-POLYMER
Isomeric SMILESCC1(N=C(N=C(N1OCCCOc2ccc(cc2)Br)N)N)C
InChIInChI=1S/C14H20BrN5O2/c1-14(2)19-12(16)18-13(17)20(14)22-9-3-8-21-11-6-4-10(15)5-7-11/h4-7H,3,8-9H2,1-2H3,(H4,16,17,18,19)
InChIKeyMPXYCOHVHSXSDC-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count0
Bond Count43
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB04007 
NameBromo-WR99210
Groups experimental
SynonymsBromo-WR99210

Drug Targets

NameTarget SequencePharmacological ActionActions
Dihydrofolate reductaseMTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWD...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

Related Resource References

Resource NameReference
PubChem 2429
ChEMBL CHEMBL126726