Chemical Component Summary

Name5-{[(2S)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl}pyrimidine-2,4-diamine
Identifiers5-[[(2S)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine
FormulaC19 H22 N4 O3
Molecular Weight354.403
TypeNON-POLYMER
Isomeric SMILESCOc1cc(c2c(c1OC)O[C@H](C=C2)C3CC3)Cc4cnc(nc4N)N
InChIInChI=1S/C19H22N4O3/c1-24-15-8-11(7-12-9-22-19(21)23-18(12)20)13-5-6-14(10-3-4-10)26-16(13)17(15)25-2/h5-6,8-10,14H,3-4,7H2,1-2H3,(H4,20,21,22,23)/t14-/m1/s1
InChIKeyHWJPWWYTGBZDEG-CQSZACIVSA-N

Chemical Details

Formal Charge0
Atom Count48
Chiral Atom Count1
Bond Count51
Aromatic Bond Count12

Drug Info: DrugBank

DrugBank IDDB07938 
Name(S)-iclaprim
Groups experimental
Synonyms(S)-iclaprim

Drug Targets

NameTarget SequencePharmacological ActionActions
Dihydrofolate reductaseMTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFES...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 44141864
ChEMBL CHEMBL1673303
ChEBI CHEBI:131753