Chemical Component Summary

Name1-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine
Identifiers[4-[(4-chlorophenyl)methyl]-1-(7H-pyrrolo[3,2-e]pyrimidin-4-yl)piperidin-4-yl]methanamine
FormulaC19 H22 Cl N5
Molecular Weight355.864
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1CC2(CCN(CC2)c3c4cc[nH]c4ncn3)CN)Cl
InChIInChI=1S/C19H22ClN5/c20-15-3-1-14(2-4-15)11-19(12-21)6-9-25(10-7-19)18-16-5-8-22-17(16)23-13-24-18/h1-5,8,13H,6-7,9-12,21H2,(H,22,23,24)
InChIKeyKCWPSUKJCKZEAO-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count47
Chiral Atom Count0
Bond Count50
Aromatic Bond Count16

Drug Info: DrugBank

DrugBank IDDB08149 
Name1-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine
Groups experimental
Synonyms1-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine

Drug Targets

NameTarget SequencePharmacological ActionActions
cAMP-dependent protein kinase catalytic subunit alphaMGNAAAAKKGSEQESVKEFLAKAKEDFLKKWESPAQNTAHLDQFERIKTL...unknown
cAMP-dependent protein kinase inhibitor alphaMTDVETTYADFIASGRTGRRNAIHDILVSSASGNSNELALKLAGLDINKT...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 CHEMBL260000
PubChem 11696113
ChEMBL CHEMBL260000