ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201323
CHEMBL1201323
Compound Name BETAZOLE
ChEMBL Synonyms Betazole | Histalog | Betazolium Chloride | Betazole HCl | Ametazole
Max Phase 4 (Approved)
Trade Names Histalog
Molecular Formula C5H9N3

Additional synonyms for CHEMBL1201323 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCc1cc[nH]n1
Standard InChI InChI=1S/C5H9N3/c6-3-1-5-2-4-7-8-5/h2,4H,1,3,6H2,(H,7,8)
Standard InChI Key JXDFEQONERDKSS-UHFFFAOYSA-N

Mechanism of Action

Mechanism of Action ChEMBL Target References
Histamine H2 receptor agonist Histamine H2 receptor ISBN PubMed

Molecule Features

CHEMBL1201323 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Discontinued

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are no structural alerts for CHEMBL1201323

Alternate Forms of Compound in ChEMBL


CHEMBL1201323

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
111.2 111.0796 -0.16 2 54.7 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.21 -.36 -1.97 1 8 0.56

Compound Cross References

ATC V - VARIOUS
V04 - DIAGNOSTIC AGENTS
V04C - OTHER DIAGNOSTIC AGENTS
V04CG - Tests for gastric secretion
V04CG02 - betazole

ChemSpider ChemSpider:JXDFEQONERDKSS-UHFFFAOYSA-N
PubChem SID: 11112911
Wikipedia Betazole

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201323



ACToR 105-20-4
ChEBI 59170
DrugBank DB00272
eMolecules 34962 31503597
FDA SRS 1C065P542O
Guide to Pharmacology 7126
Human Metabolome Database HMDB14417
IBM Patent System 9D629C4D925EF53C027208B1B2F17BF3 A791F75F95939B7DB8514CD7C6FECFA6
IBM Patents WO2010024870A1 US6331289 EP2132224A1 US20060188940 US6372712 WO2006091530A2 WO2006138343A2 US7834028 US6815445 EP1945240A2 WO2003060191A2 EP1000055A1 US20080020037 US20100304998 US7078406 US6261537 EP0819000B1 US20060029609 EP1680223A2 US20100086606 EP1229924A1 US20030162226 EP2063905A2 WO2005058892A1 US20020132007 US5981474 WO2008121896A2 US20020025509 EP0917501A1 EP2084519A2 EP0859768A1 WO2005090352A1 WO2004040006A1 US5728378 US20060079510 WO2005009510A2 WO2003060019A1 US7291217 EP1909772A1 US7833331 US20070071835 US7700554 US20080182293 US4211764 US20050118637 US20020102217 US20070149673 WO2001035978A1 WO2000010600A2 US20080220441 EP2135078A1 US7172859 US20050209146 EP1442027A1 US20020048610 US7789958 US20060110428 US6818313 WO1995031897A1 WO2010039560A2 EP1889198A2 WO2004009869A2 WO2003031419A1 US7560431 US20040016910 WO2008004992A2 EP0759692A1 EP1079859A1 US5397798 US20020147133 US20030059837 US20060094760 WO2008112195A1 US20100210517 WO2006105147A2 EP1204766A1 WO2008127291A2 EP1554572B1 EP0917501B1 US7294211 US20030234063 US20020192460 US20020035998 EP2152944A2 EP1735315A1 US20030230363 US5962499 US20040235145 US20020102215 EP0652768A1 US20100235104 WO2001051919A2 WO2006039545A2 EP0891181B1 WO2001030322A1 US20020177167 US20090163628 US4548805 EP2259665A1 US20040011252
LINCS LSM-5366
MolPort MolPort-001-787-387
Nikkaji J5.041E
PharmGKB PA164784036
PubChem 7741
PubChem: Thomson Pharma 15066099
SureChEMBL SCHEMBL157155

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