L15

2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE

Created: 2007-03-19
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count0
Bond Count31
Aromatic Bond Count0
2D diagram of L15
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Chemical Component Summary

Name2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE
Systematic Name (OpenEye OEToolkits)2-[4-(3-methyl-1H-pyrazol-4-yl)phenyl]ethanamine
FormulaC12 H15 N3
Molecular Weight201.268
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04n2c(c(c1ccc(cc1)CCN)cn2)C
SMILESCACTVS3.341Cc1n[nH]cc1c2ccc(CCN)cc2
SMILESOpenEye OEToolkits1.5.0Cc1c(c[nH]n1)c2ccc(cc2)CCN
Canonical SMILESCACTVS3.341 Cc1n[nH]cc1c2ccc(CCN)cc2
Canonical SMILESOpenEye OEToolkits1.5.0 Cc1c(c[nH]n1)c2ccc(cc2)CCN
InChIInChI1.03 InChI=1S/C12H15N3/c1-9-12(8-14-15-9)11-4-2-10(3-5-11)6-7-13/h2-5,8H,6-7,13H2,1H3,(H,14,15)
InChIKeyInChI1.03 ILTOXASLQDKYJW-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB08070 
Name2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE
Groups experimental
Synonyms2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE

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
PubChem 16122634
ChEMBL CHEMBL228224