TRW

TRW3-(2-AMINO-3-HYDROXY-PROPYL)-6-(N'-CYCLOHEXYL-HYDRAZINO)OCTAHYDRO-INDOL-7-OL

Created:2002-08-19
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count1
Bond Count43
Aromatic Bond Count16
2D diagram of TRW

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Toggle HydrogenToggle Labels

Chemical Component Summary

NameTRW3-(2-AMINO-3-HYDROXY-PROPYL)-6-(N'-CYCLOHEXYL-HYDRAZINO)OCTAHYDRO-INDOL-7-OL
SynonymsPHENYLHYDRAZINE ADDUCT
Systematic Name (OpenEye OEToolkits)(2S)-2-amino-3-[7-hydroxy-6-(2-phenylhydrazinyl)-1H-indol-3-yl]propanal
FormulaC17 H18 N4 O2
Molecular Weight310.35
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=CC(N)Cc2c1ccc(c(O)c1nc2)NNc3ccccc3
SMILESCACTVS3.341N[CH](Cc1c[nH]c2c(O)c(NNc3ccccc3)ccc12)C=O
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)NNc2ccc3c(c[nH]c3c2O)CC(C=O)N
Canonical SMILESCACTVS3.341 N[C@@H](Cc1c[nH]c2c(O)c(NNc3ccccc3)ccc12)C=O
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc(cc1)NNc2ccc3c(c[nH]c3c2O)C[C@@H](C=O)N
InChIInChI1.03 InChI=1S/C17H18N4O2/c18-12(10-22)8-11-9-19-16-14(11)6-7-15(17(16)23)21-20-13-4-2-1-3-5-13/h1-7,9-10,12,19-21,23H,8,18H2/t12-/m0/s1
InChIKeyInChI1.03 PSUOZWHAKZSNOB-LBPRGKRZSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB08646 
NameTRW3-(2-AMINO-3-HYDROXY-PROPYL)-6-(N'-CYCLOHEXYL-HYDRAZINO)OCTAHYDRO-INDOL-7-OL
Groups experimental
SynonymsTRW3-(2-AMINO-3-HYDROXY-PROPYL)-6-(N'-CYCLOHEXYL-HYDRAZINO)OCTAHYDRO-INDOL-7-OL

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
AmicyaninMISATKIRSCLAACVLAAFGATGALADKATIPSESPFAAAEVADGAIVVD...unknown
Methylamine dehydrogenase heavy chainMALPPNFMPLFRASLIGLGLGCSALALAASAQDAPEAETQAQETQGQAAA...unknown
Methylamine dehydrogenase light chainMLGNFRFDDMVEKLSRRVAGQTSRRSVIGKLGTAMLGIGLVPLLPVDRRG...unknown
Cytochrome c-LMTKPRILAAFAMTLIIPVAAMAAPQFFNIIDGSPLNFDDAMEEGRDTEAV...unknown
Quinohemoprotein amine dehydrogenase subunit gammaMNALVGCTTSFDPGWEVDAFGAVSNLCQPMEADLYGCADPCWWPAQVADT...unknown
View More
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 46937169