HYDRALAZINE

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Search structure


Synonyms	Hydralazine Hydralazine polistirex NSC-126699
Status
Molecule Category	Free-form
ATC	C02DB02
UNII	26NAK24LS8
EPA CompTox	DTXSID4023129


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

Structure


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

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C8H8N4
Molecular Weight	160.18
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
Inhibition of ADP-induced platelet aggregation in guinea pig whole blood at 5*10e-4 M	Cavia porcellus	0.0 %
Inhibition of arachidonic acid induced platelet aggregation in guinea pig whole blood at 5*10e-4 M	Cavia porcellus	20.0 %
Inhibition of canine heart Phosphodiesterase 4 at 100 uM	Canis lupus familiaris	0.0 %
Compound was tested at 1.5e-3M for inhibition of spontaneous activity in rat isolated portal vein	Rattus norvegicus	40.0 %
Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells at 100 uM by confocal microscopy	Homo sapiens	6.5 %
Inhibition of human recombinant DNMT1 expressed in baculovirus-insect cell system at 100 uM by scintillation counting	Homo sapiens	86.0 %
Inhibition of human recombinant DNMT3B expressed in baculovirus-insect cell system at 100 uM by scintillation counting	Homo sapiens	109.0 %
Inhibition of human liver cytosolic aldehyde oxidase using DACA as substrate by LC-MS/MS analysis relative to control	Homo sapiens	96.0 %
Inhibition of human MPO	Homo sapiens	61.0 %		Inhibition of human MPO	Homo sapiens	900.0 nM
Irreversible inhibition of MPO (unknown origin)	Homo sapiens	900.0 nM
Inhibition of recombinant MPO (unknown origin) assessed as reduction in taurine chloramine production preincubated with enzyme and taurine followed by H2O2 addition measured after 5 mins	Homo sapiens	900.0 nM
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	14.82 %		SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	13.72 %
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	0.91 %		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	0.18 %		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	0.91 %		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	0.18 %

Cross References

Resources	Reference
ChEBI	5775
ChEMBL	CHEMBL276832
DrugBank	DB01275
DrugCentral	1384
FDA SRS	26NAK24LS8
Human Metabolome Database	HMDB0015400
Guide to Pharmacology	7326
KEGG	C07040
PDB	HLZ
PharmGKB	PA449894
PubChem	3637
SureChEMBL	SCHEMBL7810
ZINC	ZINC000012360535

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).