HYDROQUINONE

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Search structure


Synonyms	Black and white bleaching cream CHEBI:17594 CHEMBL537 Eldopaque forte Eldoquin forte Hydroquinone NCI-C55834 NSC-9247 Solaquin forte
Status
Molecule Category	Free-form
ATC	D11AX11
UNII	XV74C1N1AE
EPA CompTox	DTXSID7020716


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	QIGBRXMKCJKVMJ-UHFFFAOYSA-N
Smiles	Oc1ccc(O)cc1
InChI	InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C6H6O2
Molecular Weight	110.11
AlogP	1.1
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	0.0
Polar Surface Area	40.46
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	8.0

Assay Description	Organism	Bioactivity	Reference
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay	Homo sapiens	90.0 nM
Inhibition of COX2 at 100 uM by scintillation proximity assay	None	30.0 %
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay	Homo sapiens	90.0 nM
Cytotoxicity against mouse P388 cells	Mus musculus	3.0 ug.mL-1
Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	Cricetulus griseus	112.92 %
Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	Cricetulus griseus	93.82 %
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Burk plot analysis	Electrophorus electricus	1.22 nM
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging	Homo sapiens	-2.27 %
Inhibition of F1F0-ATP synthase in Escherichia coli relative to control	Escherichia coli	80.0 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	10.39 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	-0.06 %		Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	-0.06 %

Cross References

Resources	Reference
ChEBI	17594
ChEMBL	CHEMBL537
DrugBank	DB09526
DrugCentral	3282
FDA SRS	XV74C1N1AE
Human Metabolome Database	HMDB0002434
KEGG	C00530
PDB	HQE
PubChem	785
SureChEMBL	SCHEMBL15516
ZINC	ZINC000005133378

CONTENTS

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).