11N

1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine

Created:2008-01-10
Last modified:  2011-06-04

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count50
Chiral Atom Count0
Bond Count53
Aromatic Bond Count12
2D diagram of 11N
Toggle HydrogenToggle Labels

Chemical Component Summary

Name1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine
Systematic Name (OpenEye OEToolkits)1-[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-3-phenyl-prop-2-en-1-one
FormulaC22 H24 N2 O2
Molecular Weight348.438
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(N3CCC1(c2c(OC1)ccc(c2)CN)CC3)\C=C\c4ccccc4
SMILESCACTVS3.341NCc1ccc2OCC3(CCN(CC3)C(=O)C=Cc4ccccc4)c2c1
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)C=CC(=O)N2CCC3(CC2)COc4c3cc(cc4)CN
Canonical SMILESCACTVS3.341 NCc1ccc2OCC3(CCN(CC3)C(=O)/C=C/c4ccccc4)c2c1
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc(cc1)C=CC(=O)N2CCC3(CC2)COc4c3cc(cc4)CN
InChIInChI1.03 InChI=1S/C22H24N2O2/c23-15-18-6-8-20-19(14-18)22(16-26-20)10-12-24(13-11-22)21(25)9-7-17-4-2-1-3-5-17/h1-9,14H,10-13,15-16,23H2/b9-7+
InChIKeyInChI1.03 RQWYWHUKHYFIPB-VQHVLOKHSA-N

Drug Info: DrugBank

DrugBank IDDB06849 
Name1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine
Groups experimental
Synonyms1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine

Drug Targets

NameTarget SequencePharmacological ActionActions
Tryptase alpha/beta-1MLNLLLLALPVLASRAYAAPAPGQALQRVGIVGGQEAPRSKWPWQVSLRV...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 25113124