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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL181
CHEMBL181
Compound Name DIAZOXIDE
ChEMBL Synonyms HYPERSTAT | PROGLYCEM | SCH 6783 | Eudimine | DIAZOXIDE | EUDEMINE | SRG 95213 | Mutabase
Max Phase 4 (Approved)
Trade Names Eudimine | Mutabase | PROGLYCEM | EUDEMINE | HYPERSTAT | DIAZOXIDE
Molecular Formula C8H7ClN2O2S

Additional synonyms for CHEMBL181 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1=NS(=O)(=O)c2cc(Cl)ccc2N1
Standard InChI InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h ...
Download InChI
Standard InChI Key GDLBFKVLRPITMI-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • 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


CHEMBL181

Molecule Features

CHEMBL181 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
Potassium channel, inwardly rectifying, subfamily J, member 11 opener Potassium channel, inwardly rectifying, subfamily J, member 11 DailyMed ISBN
Potassium channel, inwardly rectifying, subfamily J, member 8 opener Potassium channel, inwardly rectifying, subfamily J, member 8 DailyMed ISBN

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
HypertriglyceridemiaD015228EFO:0004211Hypertriglyceridemia2ClinicalTrials
ObesityD009765EFO:0001073obesity2ClinicalTrials
Depressive DisorderD003866EFO:0003761unipolar depression1ClinicalTrials
HypoglycemiaD007003HP:0001943Hypoglycemia4ATC
Diabetes Mellitus, Type 2D003924EFO:0001360type II diabetes mellitus2ClinicalTrials
HypertensionD006973EFO:0000537hypertension4ATC
Prader-Willi SyndromeD011218Orphanet:739Prader-Willi syndrome2ClinicalTrials

Clinical Data

ClinicalTrials.gov DIAZOXIDE
The Cochrane Collaboration DIAZOXIDE

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 CHEMBL181. 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
CHEMBL5375 Hepatitis C virus NS5B RNA-dependent RNA polymerase Hepatitis C virus 1.000
CHEMBL5536 Genome polyprotein Hepatitis C virus genotype 1b (isolate Con1) (HCV) 0.991
CHEMBL4306 Voltage-gated potassium channel subunit Kv1.5 Homo sapiens 0.658
CHEMBL4633 Voltage-gated potassium channel subunit Kv1.3 Homo sapiens 0.476

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5375 Hepatitis C virus NS5B RNA-dependent RNA polymerase Hepatitis C virus 1.000
CHEMBL5536 Genome polyprotein Hepatitis C virus genotype 1b (isolate Con1) (HCV) 0.994
CHEMBL4306 Voltage-gated potassium channel subunit Kv1.5 Homo sapiens 0.791
CHEMBL4633 Voltage-gated potassium channel subunit Kv1.3 Homo sapiens 0.759

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
230.7 229.9917 1.87 0 58.53 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.99 - 1.19 1.18 1 14 0.74

Structural Alerts

There are no structural alerts for CHEMBL181

Compound Cross References

ATC V - VARIOUS
V03 - ALL OTHER THERAPEUTIC PRODUCTS
V03A - ALL OTHER THERAPEUTIC PRODUCTS
V03AH - Drugs for treatment of hypoglycemia
V03AH01 - diazoxide

C - CARDIOVASCULAR SYSTEM
C02 - ANTIHYPERTENSIVES
C02D - ARTERIOLAR SMOOTH MUSCLE, AGENTS ACTING ON
C02DA - Thiazide derivatives
C02DA01 - diazoxide

ChemSpider ChemSpider:GDLBFKVLRPITMI-UHFFFAOYSA-N
DailyMed diazoxide
PubChem SID: 11111111 SID: 11113823 SID: 124879964 SID: 144203683 SID: 170465328 SID: 26747146 SID: 26751995 SID: 50104671 SID: 56422090 SID: 855807
Wikipedia Diazoxide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL181



ACToR 364-98-7
BindingDB 86248
Brenda 209384 93169
ChEBI 4495
DrugBank DB01119
DrugCentral 854
eMolecules 36757797 1934615
EPA CompTox Dashboard DTXSID7022914
FDA SRS O5CB12L4FN
Guide to Pharmacology 2409
Human Metabolome Database HMDB0015251
IBM Patent System 56278D7A0A677EDE449E9AEFC3A95DFF 1FB8AEFC7422D305A2C4C667050C8D74
KEGG Ligand C06949
LINCS LSM-3639
Mcule MCULE-5031397425
MolPort MolPort-003-666-772 MolPort-003-941-186
NIH Clinical Collection SAM001246872
Nikkaji J5.703G
PDBe 20J
PharmGKB PA449285
PubChem 3019
PubChem: Drugs of the Future 24714736
PubChem: Thomson Pharma 16616077 14749339
SureChEMBL SCHEMBL41254
ZINC ZINC000003872277

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