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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2104937
CHEMBL2104937
Compound Name TOLGABIDE
ChEMBL Synonyms TOLGABIDE | SL 81.0142-00
Max Phase 0
Trade Names
Molecular Formula C18H18Cl2N2O2

Additional synonyms for CHEMBL2104937 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc(Cl)cc(\C(=N/CCCC(=O)N)\c2ccc(Cl)cc2)c1O
Standard InChI InChI=1S/C18H18Cl2N2O2/c1-11-9-14(20)10-15(18(11)24)17(22-8- ...
Download InChI
Standard InChI Key AOAFGVWKONLQRN-XLNRJJMWSA-N

Sources

  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2104937

Molecule Features

CHEMBL2104937 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 TOLGABIDE
The Cochrane Collaboration TOLGABIDE

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
365.3 364.0745 4.49 6 75.67 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.41 3.89 3.87 2 24 0.59

Structural Alerts

There are 4 structural alerts for CHEMBL2104937. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AOAFGVWKONLQRN-XLNRJJMWSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2104937



ZINC ZINC000004217584

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