HYDRALAZINE HYDROCHLORIDE

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Trade Names	APRESOLINE DRALZINE HYDRALAZINE HYDROCHLORIDE
Synonyms	Apresoline Apressinum Dralzine Hydralazine hcl Hydralazine hydrochloride Hydralazini hydrochloridum MC-1101 NSC-89394
Status
Molecule Category	Salt-form
UNII	FD171B778Y
EPA CompTox	DTXSID1044645
Parent Compound:	HYDRALAZINE


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

Structure


InChI Key	ZUXNZUWOTSUBMN-UHFFFAOYSA-N
Smiles	Cl.NNc1nncc2ccccc12
InChI	InChI=1S/C8H8N4.ClH/c9-11-8-7-4-2-1-3-6(7)5-10-12-8;/h1-5H,9H2,(H,11,12);1H

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C8H9ClN4
Molecular Weight	196.64
AlogP	0.92
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	63.83
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	12.0

Assay Description	Organism	Bioactivity	Reference
Ex vivo inhibition of platelet aggregation induced by AA at 100 mg/kg	Cavia porcellus	75.0 %
Percent increase in cardiac rhythm, directly measured on carotid (iv on the jugular vein) of spontaneously hypertensive rats at 1 mg/kg after 30 minutes	Rattus norvegicus	20.0 %
Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	Cricetulus griseus	87.74 %
Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	Cricetulus griseus	115.08 %
Activation of rat PXR expressed in human HepG2 cells after 24 hrs by luciferase reporter gene based luminescent analysis	Rattus norvegicus	450.0 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	-2.53 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	35.0 %
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	0.21 %		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	0.21 %

Cross References

Resources	Reference
ChEBI	31672
ChEMBL	CHEMBL542541
FDA SRS	FD171B778Y
PubChem	9351
SureChEMBL	SCHEMBL36271

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).