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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2111123
CHEMBL2111123
Compound Name THIAZESIM
ChEMBL Synonyms THIAZESIM HYDROCHLORIDE | ALTINIL | SQ 10,496
Max Phase 0
Trade Names
Molecular Formula C19H22N2OS

Additional synonyms for CHEMBL2111123 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)CCN1C(=O)CC(Sc2ccccc12)c3ccccc3
Standard InChI InChI=1S/C19H22N2OS/c1-20(2)12-13-21-16-10-6-7-11-17(16)23-1 ...
Download InChI
Standard InChI Key QJJXOEFWXSQISU-UHFFFAOYSA-N

Sources

  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2111123

Molecule Features

CHEMBL2111123 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov THIAZESIM
The Cochrane Collaboration THIAZESIM

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
326.5 326.1453 3.38 4 48.85 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.94 4.27 2.9 2 23 0.87

Structural Alerts

There are no structural alerts for CHEMBL2111123

Compound Cross References

ChemSpider ChemSpider:QJJXOEFWXSQISU-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2111123



ACToR 5845-26-1
ChEBI 135391
DrugCentral 2627
Nikkaji J8.295C
PubChem 22107
PubChem: Thomson Pharma 15025125
SureChEMBL SCHEMBL49862

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