J60

5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE



Chemical Component Summary

Name5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE
Identifiers5-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-diethylaminoethyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide
FormulaC22 H27 Cl N4 O2
Molecular Weight414.928
TypeNON-POLYMER
Isomeric SMILESCCN(CC)CCNC(=O)c1c(c([nH]c1C)\C=C/2\c3cc(ccc3NC2=O)Cl)C
InChIInChI=1S/C22H27ClN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
InChIKeyXPLJEFSRINKZLC-ATVHPVEESA-N

Chemical Details

Formal Charge0
Atom Count56
Chiral Atom Count0
Bond Count58
Aromatic Bond Count11

Drug Info: DrugBank

DrugBank IDDB08009 
NameSU-11652
Groups experimental
DescriptionSU-11652 is a tyrosine kinase inhibitor.
SynonymsSU-11652
CategoriesHeterocyclic Compounds, Fused-Ring
CAS number326914-10-7

Drug Targets

NameTarget SequencePharmacological ActionActions
Calcium/calmodulin-dependent protein kinase type 1GMGRKEEDDCSSWKKQTTNIRKTFIFMEVLGSGAFSEVFLVKQRLTGKLFA...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 CHEMBL13485
PubChem 5329103
ChEMBL CHEMBL13485
ChEBI CHEBI:132084, CHEBI:94073