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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL276832
CHEMBL276832
Compound Name HYDRALAZINE
ChEMBL Synonyms APRESOLINE | HYDRALAZINE | DRALZINE | HYDRALAZINE HYDROCHLORIDE
Max Phase 4 (Approved)
Trade Names APRESOLINE | DRALZINE | HYDRALAZINE HYDROCHLORIDE
Molecular Formula C8H8N4

Additional synonyms for CHEMBL276832 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NNc1nncc2ccccc12
Standard InChI InChI=1S/C8H8N4/c9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-5H,9H2,(H ...
Download InChI
Standard InChI Key RPTUSVTUFVMDQK-UHFFFAOYSA-N

Sources

  • British National Formulary
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL276832

Molecule Features

CHEMBL276832 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Unknown Not Available DailyMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Uterine Cervical NeoplasmsD002583EFO:0001061cervical carcinoma3ClinicalTrials
Cerebral HemorrhageD002543EFO:0005669intracerebral hemorrhage2ClinicalTrials
ClinicalTrials
Heart DiseasesD006331EFO:0003777heart disease2ClinicalTrials
HypertensionD006973EFO:0000537hypertension3ClinicalTrials
Lung NeoplasmsD008175EFO:0001071lung carcinoma1ClinicalTrials
Heart FailureD006333EFO:0000373congestive heart failure2ClinicalTrials
ClinicalTrials
NeoplasmsD009369EFO:0000616neoplasm2ClinicalTrials
Breast NeoplasmsD001943EFO:0000305breast carcinoma2ClinicalTrials
Kidney DiseasesD007674EFO:0003086kidney disease0ClinicalTrials
Ovarian NeoplasmsD010051EFO:0001075ovarian carcinoma3ClinicalTrials
Pre-EclampsiaD011225EFO:0000668preeclampsia2ClinicalTrials
Rectal NeoplasmsD012004EFO:1000657rectum cancer1ClinicalTrials
Vascular DiseasesD014652EFO:0004264vascular disease2ClinicalTrials

Clinical Data

ClinicalTrials.gov HYDRALAZINE
The Cochrane Collaboration HYDRALAZINE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL276832. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL2439 Myeloperoxidase Homo sapiens 0.468

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL262 Glycogen synthase kinase-3 beta Homo sapiens 0.429
CHEMBL2439 Myeloperoxidase Homo sapiens 0.203

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
160.2 160.0749 0.92 1 63.83 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.25 1 .99 2 12 0.48

Structural Alerts

There are 5 structural alerts for CHEMBL276832. To view alerts please click here.

Compound Cross References

ATC C - CARDIOVASCULAR SYSTEM
C02 - ANTIHYPERTENSIVES
C02D - ARTERIOLAR SMOOTH MUSCLE, AGENTS ACTING ON
C02DB - Hydrazinophthalazine derivatives
C02DB02 - hydralazine

ChemSpider ChemSpider:RPTUSVTUFVMDQK-UHFFFAOYSA-N
DailyMed hydralazine hydrochloride
PubChem SID: 11111261 SID: 11111262 SID: 174006923 SID: 50111090 SID: 90341825
Wikipedia Hydralazine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL276832



ACToR 86-54-4
BindingDB 81461
Brenda 42831 2844
ChEBI 5775
DrugBank DB01275
DrugCentral 1384
eMolecules 1978120 975874
EPA CompTox Dashboard DTXSID4023129
FDA SRS 26NAK24LS8
Guide to Pharmacology 7326
Human Metabolome Database HMDB0015400
IBM Patent System D839F7BD90A26DD3530354E87E217ECF
KEGG Ligand C07040
LINCS LSM-15370
Mcule MCULE-9226495081
MolPort MolPort-000-876-738
Nikkaji J4.262E
NMRShiftDB 20202075
PDBe HLZ
PharmGKB PA449894
PubChem 3637
PubChem: Thomson Pharma 15171016
SureChEMBL SCHEMBL7810
ZINC ZINC000012360535

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/RPTUSVTUFVMDQK-UHFFFAOYSA-N spacer
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