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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2 entries where TRW is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	1
Bond Count	43
Aromatic Bond Count	16

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Chemical Component Summary
Name	TRW3-(2-AMINO-3-HYDROXY-PROPYL)-6-(N'-CYCLOHEXYL-HYDRAZINO)OCTAHYDRO-INDOL-7-OL
Synonyms	PHENYLHYDRAZINE ADDUCT
Systematic Name (OpenEye OEToolkits)	(2S)-2-amino-3-[7-hydroxy-6-(2-phenylhydrazinyl)-1H-indol-3-yl]propanal
Formula	C₁₇ H₁₈ N₄ O₂
Molecular Weight	310.35
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=CC(N)Cc2c1ccc(c(O)c1nc2)NNc3ccccc3
SMILES	CACTVS	3.341	N[CH](Cc1c[nH]c2c(O)c(NNc3ccccc3)ccc12)C=O
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)NNc2ccc3c(c[nH]c3c2O)CC(C=O)N
Canonical SMILES	CACTVS	3.341	N[C@@H](Cc1c[nH]c2c(O)c(NNc3ccccc3)ccc12)C=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)NNc2ccc3c(c[nH]c3c2O)C[C@@H](C=O)N
InChI	InChI	1.03	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
InChIKey	InChI	1.03	PSUOZWHAKZSNOB-LBPRGKRZSA-N

Drug Info: DrugBank

DrugBank ID	DB08646
Name	TRW3-(2-AMINO-3-HYDROXY-PROPYL)-6-(N'-CYCLOHEXYL-HYDRAZINO)OCTAHYDRO-INDOL-7-OL
Groups	experimental
Synonyms	TRW3-(2-AMINO-3-HYDROXY-PROPYL)-6-(N'-CYCLOHEXYL-HYDRAZINO)OCTAHYDRO-INDOL-7-OL

Drug Targets

Name	Target Sequence	Pharmacological Action
Amicyanin	MISATKIRSCLAACVLAAFGATGALADKATIPSESPFAAAEVADGAIVVD...	unknown
Methylamine dehydrogenase heavy chain	MALPPNFMPLFRASLIGLGLGCSALALAASAQDAPEAETQAQETQGQAAA...	unknown
Methylamine dehydrogenase light chain	MLGNFRFDDMVEKLSRRVAGQTSRRSVIGKLGTAMLGIGLVPLLPVDRRG...	unknown
Cytochrome c-L	MTKPRILAAFAMTLIIPVAAMAAPQFFNIIDGSPLNFDDAMEEGRDTEAV...	unknown
Quinohemoprotein amine dehydrogenase subunit gamma	MNALVGCTTSFDPGWEVDAFGAVSNLCQPMEADLYGCADPCWWPAQVADT...	unknown
Quinohemoprotein amine dehydrogenase 60 kDa subunit	MKPFTRTALVSVSALAFAAPVLAVTGEEVLQNACAACHVQHEDGRWERID...	unknown
Quinohemoprotein amine dehydrogenase 40 kDa subunit	MRKSLMLLASAAAMLAGPALARDYILAPARPDKLVVIDTEKMAVDKVITI...	unknown
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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