Chemical Component Summary

NameN-[amino(imino)methyl]-2-[2-(2-chlorophenyl)-4-(4-propoxyphenyl)-3-thienyl]acetamide
IdentifiersN-carbamimidoyl-2-[2-(2-chlorophenyl)-4-(4-propoxyphenyl)thiophen-3-yl]ethanamide
FormulaC22 H22 Cl N3 O2 S
Molecular Weight427.947
TypeNON-POLYMER
Isomeric SMILES[H]/N=C(\N)/NC(=O)Cc1c(csc1c2ccccc2Cl)c3ccc(cc3)OCCC
InChIInChI=1S/C22H22ClN3O2S/c1-2-11-28-15-9-7-14(8-10-15)18-13-29-21(16-5-3-4-6-19(16)23)17(18)12-20(27)26-22(24)25/h3-10,13H,2,11-12H2,1H3,(H4,24,25,26,27)
InChIKeyVZSMTBLDWPKVRW-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count51
Chiral Atom Count0
Bond Count53
Aromatic Bond Count19

Drug Info: DrugBank

DrugBank IDDB07089 
NameN-[amino(imino)methyl]-2-[2-(2-chlorophenyl)-4-(4-propoxyphenyl)-3-thienyl]acetamide
Groups experimental
SynonymsN-[amino(imino)methyl]-2-[2-(2-chlorophenyl)-4-(4-propoxyphenyl)-3-thienyl]acetamide

Drug Targets

NameTarget SequencePharmacological ActionActions
Beta-secretase 1MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEE...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 CHEMBL391087
PubChem 11995761, 137629174
ChEMBL CHEMBL391087