TQ6

5-(4-MORPHOLIN-4-YL-PHENYLSULFANYL)-2,4-QUINAZOLINEDIAMINE


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Chemical Component Summary

Name5-(4-MORPHOLIN-4-YL-PHENYLSULFANYL)-2,4-QUINAZOLINEDIAMINE
Identifiers5-(4-morpholin-4-ylphenyl)sulfanylquinazoline-2,4-diamine
FormulaC18 H19 N5 O S
Molecular Weight353.441
TypeNON-POLYMER
Isomeric SMILESc1cc2c(c(c1)Sc3ccc(cc3)N4CCOCC4)c(nc(n2)N)N
InChIInChI=1S/C18H19N5OS/c19-17-16-14(21-18(20)22-17)2-1-3-15(16)25-13-6-4-12(5-7-13)23-8-10-24-11-9-23/h1-7H,8-11H2,(H4,19,20,21,22)
InChIKeyCZLWCJRHDBTCGQ-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count0
Bond Count47
Aromatic Bond Count17

Drug Info: DrugBank

DrugBank IDDB02001 
Name5-(4-Morpholin-4-Yl-Phenylsulfanyl)-2,4-Quinazolinediamine
Groups experimental
Synonyms5-(4-Morpholin-4-Yl-Phenylsulfanyl)-2,4-Quinazolinediamine

Drug Targets

NameTarget SequencePharmacological ActionActions
Dihydrofolate reductase, 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
PubChem 3534
ChEMBL CHEMBL328827