ETQ

3-chloro-5-ethyl-N-{[(2S)-1-ethylpyrrolidin-2-yl]methyl}-6-hydroxy-2-methoxybenzamide

Created:	2010-10-21
Last modified:	2011-06-04

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1 entries where ETQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	1
Bond Count	49
Aromatic Bond Count	6

2D diagram of ETQ

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Chemical Component Summary
Name	3-chloro-5-ethyl-N-{[(2S)-1-ethylpyrrolidin-2-yl]methyl}-6-hydroxy-2-methoxybenzamide
Systematic Name (OpenEye OEToolkits)	5-chloro-3-ethyl-N-[[(1R,2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxy-benzamide
Formula	C₁₇ H₂₅ Cl N₂ O₃
Molecular Weight	340.845
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1cc(c(O)c(c1OC)C(=O)NCC2N(CC)CCC2)CC
SMILES	CACTVS	3.370	CCN1CCC[CH]1CNC(=O)c2c(O)c(CC)cc(Cl)c2OC
SMILES	OpenEye OEToolkits	1.7.0	CCc1cc(c(c(c1O)C(=O)NCC2CCCN2CC)OC)Cl
Canonical SMILES	CACTVS	3.370	CCN1CCC[C@H]1CNC(=O)c2c(O)c(CC)cc(Cl)c2OC
Canonical SMILES	OpenEye OEToolkits	1.7.0	CCc1cc(c(c(c1O)C(=O)NC[C@@H]2CCC[N@]2CC)OC)Cl
InChI	InChI	1.03	InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1
InChIKey	InChI	1.03	AADCDMQTJNYOSS-LBPRGKRZSA-N

Drug Info: DrugBank

DrugBank ID	DB15492
Name	Eticlopride
Groups	experimental
Synonyms	Eticlopride Eticlopride hydrochloride Eticloprida Eticlopridum
Categories	Amides Dopamine Agents Dopamine Antagonists Neurotransmitter Agents
CAS number	84226-12-0

Related Resource References

Resource Name	Reference
Pharos	CHEMBL8946
PubChem	57267
ChEMBL	CHEMBL8946
ChEBI	CHEBI:92874

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.