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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2105083
CHEMBL2105083
Compound Name GLYCLOPYRAMIDE
ChEMBL Synonyms GLYCLOPYRAMIDE
Max Phase 0
Trade Names
Molecular Formula C11H14ClN3O3S

Additional synonyms for CHEMBL2105083 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCC2
Standard InChI InChI=1S/C11H14ClN3O3S/c12-9-3-5-10(6-4-9)19(17,18)14-11(16) ...
Download InChI
Standard InChI Key HNSCCNJWTJUGNQ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2105083

Molecule Features

CHEMBL2105083 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

Clinical Data

ClinicalTrials.gov GLYCLOPYRAMIDE
The Cochrane Collaboration GLYCLOPYRAMIDE

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 CHEMBL2105083. 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
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.999
CHEMBL2069 Thromboxane A2 receptor Homo sapiens 0.935
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 0.896
CHEMBL3242 Carbonic anhydrase XII Homo sapiens 0.711
CHEMBL3869 Matrix metalloproteinase 14 Homo sapiens 0.533
CHEMBL205 Carbonic anhydrase II Homo sapiens 0.500
CHEMBL4588 Matrix metalloproteinase 8 Homo sapiens 0.498
CHEMBL321 Matrix metalloproteinase 9 Homo sapiens 0.447
CHEMBL204 Thrombin Homo sapiens 0.269
CHEMBL3710 Prostanoid EP3 receptor Homo sapiens 0.250
CHEMBL4625 Apoptosis regulator Bcl-X Homo sapiens 0.234
CHEMBL2285 ADAMTS5 Homo sapiens 0.219



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.996
CHEMBL4625 Apoptosis regulator Bcl-X Homo sapiens 0.985
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 0.932
CHEMBL2069 Thromboxane A2 receptor Homo sapiens 0.918
CHEMBL4588 Matrix metalloproteinase 8 Homo sapiens 0.617
CHEMBL3869 Matrix metalloproteinase 14 Homo sapiens 0.567
CHEMBL205 Carbonic anhydrase II Homo sapiens 0.539
CHEMBL3242 Carbonic anhydrase XII Homo sapiens 0.452
CHEMBL261 Carbonic anhydrase I Homo sapiens 0.390
CHEMBL4681 Aldo-keto-reductase family 1 member C3 Homo sapiens 0.289
CHEMBL204 Thrombin Homo sapiens 0.255
CHEMBL321 Matrix metalloproteinase 9 Homo sapiens 0.223

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
303.8 303.0444 1.34 3 78.51 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.26 3.22 .65 -1.3 1 19 0.88

Structural Alerts

There are 2 structural alerts for CHEMBL2105083. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HNSCCNJWTJUGNQ-UHFFFAOYSA-N
PubChem SID: 144206854

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2105083



ACToR 631-27-6
ChEBI 31658
EPA CompTox Dashboard DTXSID2048822
FDA SRS KE474IKG1W
IBM Patent System D7D27EB94A66385820CEF54A1D5E97C0
Nikkaji J3.312J
PubChem 71793
PubChem: Thomson Pharma 15468853
SureChEMBL SCHEMBL49354

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