LIH

6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE

Created: 2002-01-07
Last modified:  2021-03-01

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Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count0
Bond Count45
Aromatic Bond Count22
2D diagram of LIH
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Chemical Component Summary

Name6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE
SynonymsSRI-9439
Systematic Name (OpenEye OEToolkits)5-methyl-6-[(quinolin-5-ylamino)methyl]pyrido[3,2-e]pyrimidine-2,4-diamine
FormulaC18 H17 N7
Molecular Weight331.374
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04n1cc(c(c2c1nc(nc2N)N)C)CNc4c3cccnc3ccc4
SMILESCACTVS3.341Cc1c(CNc2cccc3ncccc23)cnc4nc(N)nc(N)c14
SMILESOpenEye OEToolkits1.5.0Cc1c(cnc2c1c(nc(n2)N)N)CNc3cccc4c3cccn4
Canonical SMILESCACTVS3.341 Cc1c(CNc2cccc3ncccc23)cnc4nc(N)nc(N)c14
Canonical SMILESOpenEye OEToolkits1.5.0 Cc1c(cnc2c1c(nc(n2)N)N)CNc3cccc4c3cccn4
InChIInChI1.03 InChI=1S/C18H17N7/c1-10-11(9-23-17-15(10)16(19)24-18(20)25-17)8-22-14-6-2-5-13-12(14)4-3-7-21-13/h2-7,9,22H,8H2,1H3,(H4,19,20,23,24,25)
InChIKeyInChI1.03 KMSATRJZEXNGDP-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB03351 
NameSri-9439
Groups experimental
SynonymsSri-9439

Drug Targets

NameTarget SequencePharmacological ActionActions
Dihydrofolate reductaseMVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNL...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 CHEMBL151958
PubChem 446752
ChEMBL CHEMBL151958