TQ4

5-[(4-METHYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE

Created:2001-03-23
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count0
Bond Count36
Aromatic Bond Count17
2D diagram of TQ4

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Chemical Component Summary

Name5-[(4-METHYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE
Systematic Name (OpenEye OEToolkits)5-(4-methylphenyl)sulfanylquinazoline-2,4-diamine
FormulaC15 H14 N4 S
Molecular Weight282.363
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04n3c2c(c(Sc1ccc(cc1)C)ccc2)c(nc3N)N
SMILESCACTVS3.341Cc1ccc(Sc2cccc3nc(N)nc(N)c23)cc1
SMILESOpenEye OEToolkits1.5.0Cc1ccc(cc1)Sc2cccc3c2c(nc(n3)N)N
Canonical SMILESCACTVS3.341 Cc1ccc(Sc2cccc3nc(N)nc(N)c23)cc1
Canonical SMILESOpenEye OEToolkits1.5.0 Cc1ccc(cc1)Sc2cccc3c2c(nc(n3)N)N
InChIInChI1.03 InChI=1S/C15H14N4S/c1-9-5-7-10(8-6-9)20-12-4-2-3-11-13(12)14(16)19-15(17)18-11/h2-8H,1H3,(H4,16,17,18,19)
InChIKeyInChI1.03 UOJFGEAPSYQDIP-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB04306 
Name5-[(4-Methylphenyl)Sulfanyl]-2,4-Quinazolinediamine
Groups experimental
Synonyms5-[(4-Methylphenyl)Sulfanyl]-2,4-Quinazolinediamine

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Peptide deformylase, mitochondrialMARLWGALSLWPLWAAVPWGGAAAVGVRACSSTAAPDGVEGPALRRSYWR...unknowninhibitor
Dihydrofolate reductase 2, mitochondrialMFLLLNCIVAVSQNMGIGKNGDLPRPPLRNEFRYFQRMTTTSSVEGKQNL...unknown
Dihydrofolate reductaseMSKPNVAIIVAALKPALGIGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRN...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
Pharos CHEMBL83547
PubChem 446245
ChEMBL CHEMBL83547