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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1908355
CHEMBL1908355
Compound Name TENIDAP
ChEMBL Synonyms Tenidap | Tenidap Sodium | CP-66248-2 | CP-66,248
Max Phase 0
Trade Names
Molecular Formula C14H9ClN2O3S

Additional synonyms for CHEMBL1908355 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=O)N1C(=O)\C(=C(/O)\c2cccs2)\c3cc(Cl)ccc13
Standard InChI InChI=1S/C14H9ClN2O3S/c15-7-3-4-9-8(6-7)11(13(19)17(9)14(16) ...
Download InChI
Standard InChI Key LXIKEPCNDFVJKC-QXMHVHEDSA-N

Molecule Features

CHEMBL1908355 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

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 3 structural alerts for CHEMBL1908355. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL1908355

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 CHEMBL1908355. 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
CHEMBL3568 Nitric-oxide synthase, brain Homo sapiens 0.994
CHEMBL221 Cyclooxygenase-1 Homo sapiens 0.399
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.355

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4803 Nitric-oxide synthase, endothelial Homo sapiens 1.000
CHEMBL3568 Nitric-oxide synthase, brain Homo sapiens 0.986
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.410
CHEMBL1293277 Niemann-Pick C1 protein Homo sapiens 0.217

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
320.8 320.0022 2.59 1 111.87 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.75 - 3.39 3.38 2 21 0.62

Compound Cross References

ATC M - MUSCULO-SKELETAL SYSTEM
M01 - ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
M01A - ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
M01AX - Other antiinflammatory and antirheumatic agents, non-steroids
M01AX23 - tenidap

ChemSpider ChemSpider:LXIKEPCNDFVJKC-QXMHVHEDSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1908355



ChEBI 35847
eMolecules 28290639
FDA SRS 9K7CJ74ONH
Guide to Pharmacology 2395
PubChem 54683953
PubChem: Thomson Pharma 14874738
SureChEMBL SCHEMBL24922

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