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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL448570
CHEMBL448570
Compound Name CARBUTAMIDE
ChEMBL Synonyms CARBUTAMIDE | BZ 55 | CA 1022 | GLYBUTAMIDE | U-6987
Max Phase 0
Trade Names
Molecular Formula C11H17N3O3S

Additional synonyms for CHEMBL448570 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCNC(=O)NS(=O)(=O)c1ccc(N)cc1
Standard InChI InChI=1S/C11H17N3O3S/c1-2-3-8-13-11(15)14-18(16,17)10-6-4-9( ...
Download InChI
Standard InChI Key VDTNNGKXZGSZIP-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL448570

Molecule Features

CHEMBL448570 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Diabetes MellitusD003920EFO:0000400diabetes mellitus0ATC

Clinical Data

ClinicalTrials.gov CARBUTAMIDE
The Cochrane Collaboration CARBUTAMIDE

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 CHEMBL448570. 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
CHEMBL3975 Fructose-1,6-bisphosphatase Homo sapiens 1.000
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 1.000
CHEMBL205 Carbonic anhydrase II Homo sapiens 1.000
CHEMBL261 Carbonic anhydrase I Homo sapiens 1.000
CHEMBL3510 Carbonic anhydrase XIV Homo sapiens 1.000
CHEMBL3242 Carbonic anhydrase XII Homo sapiens 1.000
CHEMBL2069 Thromboxane A2 receptor Homo sapiens 0.999
CHEMBL281 Carbonic anhydrase IV Bos taurus 0.994
CHEMBL2326 Carbonic anhydrase VII Homo sapiens 0.988
CHEMBL4789 Carbonic anhydrase VA Homo sapiens 0.980
CHEMBL3025 Carbonic anhydrase VI Homo sapiens 0.973
CHEMBL3729 Carbonic anhydrase IV Homo sapiens 0.914
CHEMBL4588 Matrix metalloproteinase 8 Homo sapiens 0.903
CHEMBL4140 Epoxide hydratase Mus musculus 0.863
CHEMBL5337 Carbonic anhydrase Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast) 0.809
CHEMBL4361 Induced myeloid leukemia cell differentiation protein Mcl-1 Homo sapiens 0.725
CHEMBL333 Matrix metalloproteinase-2 Homo sapiens 0.583
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 0.483
CHEMBL4607 Angiotensin II type 2 (AT-2) receptor Homo sapiens 0.339
CHEMBL283 Matrix metalloproteinase 3 Homo sapiens 0.276



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3975 Fructose-1,6-bisphosphatase Homo sapiens 1.000
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 1.000
CHEMBL205 Carbonic anhydrase II Homo sapiens 1.000
CHEMBL3510 Carbonic anhydrase XIV Homo sapiens 1.000
CHEMBL261 Carbonic anhydrase I Homo sapiens 1.000
CHEMBL3242 Carbonic anhydrase XII Homo sapiens 1.000
CHEMBL2069 Thromboxane A2 receptor Homo sapiens 0.999
CHEMBL281 Carbonic anhydrase IV Bos taurus 0.997
CHEMBL4789 Carbonic anhydrase VA Homo sapiens 0.953
CHEMBL2326 Carbonic anhydrase VII Homo sapiens 0.932
CHEMBL4588 Matrix metalloproteinase 8 Homo sapiens 0.914
CHEMBL5631 Uncharacterized protein Rv1284/MT1322 Mycobacterium tuberculosis 0.906
CHEMBL4140 Epoxide hydratase Mus musculus 0.858
CHEMBL3025 Carbonic anhydrase VI Homo sapiens 0.840
CHEMBL4358 Arachidonate 15-lipoxygenase Oryctolagus cuniculus 0.802
CHEMBL5767 PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) Mycobacterium tuberculosis 0.787
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 0.676
CHEMBL333 Matrix metalloproteinase-2 Homo sapiens 0.618
CHEMBL4860 Apoptosis regulator Bcl-2 Homo sapiens 0.608
CHEMBL5337 Carbonic anhydrase Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast) 0.556

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
271.3 271.0991 1.06 5 101.29 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 6 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.92 1.27 1.01 -.77 1 18 0.55

Structural Alerts

There are 6 structural alerts for CHEMBL448570. To view alerts please click here.

Compound Cross References

ATC A - ALIMENTARY TRACT AND METABOLISM
A10 - DRUGS USED IN DIABETES
A10B - BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
A10BB - Sulfonylureas
A10BB06 - carbutamide

ChemSpider ChemSpider:VDTNNGKXZGSZIP-UHFFFAOYSA-N
PubChem SID: 144205226 SID: 170466249
Wikipedia Carbutamide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL448570



ACToR 339-43-5
ChEBI 135118
DrugCentral 505
eMolecules 1052678
EPA CompTox Dashboard DTXSID8022741
FDA SRS E3K8P4869P
IBM Patent System 2FEAE740A9153608E5A1BEB694FBAFDB
Mcule MCULE-3496980211
MolPort MolPort-000-514-607
Nikkaji J5.684G
PubChem 9564
PubChem: Thomson Pharma 15046188
SureChEMBL SCHEMBL49231
ZINC ZINC000001764156

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