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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2104484
CHEMBL2104484
Compound Name TRIPAMIDE
ChEMBL Synonyms E-614 | TRIPAMIDE | ADR-033
Max Phase 0
Trade Names
Molecular Formula C16H20ClN3O3S

Additional synonyms for CHEMBL2104484 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)NN2C[C@@H]3[C@H]4CC[C@H](C4)[C@@H ...
Download SMILES
Standard InChI InChI=1S/C16H20ClN3O3S/c17-14-4-3-11(6-15(14)24(18,22)23)16( ...
Download InChI
Standard InChI Key UHLOVGKIEARANS-QZHINBJYSA-N

Sources

  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2104484

Molecule Features

CHEMBL2104484 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov TRIPAMIDE
The Cochrane Collaboration TRIPAMIDE

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL2104484. 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
CHEMBL2326 Carbonic anhydrase VII Homo sapiens 1.000
CHEMBL3912 Carbonic anhydrase XIII Homo sapiens 1.000
CHEMBL205 Carbonic anhydrase II Homo sapiens 0.993
CHEMBL3025 Carbonic anhydrase VI Homo sapiens 0.988
CHEMBL261 Carbonic anhydrase I Homo sapiens 0.861
CHEMBL281 Carbonic anhydrase IV Bos taurus 0.238



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2326 Carbonic anhydrase VII Homo sapiens 0.999
CHEMBL205 Carbonic anhydrase II Homo sapiens 0.990
CHEMBL3912 Carbonic anhydrase XIII Homo sapiens 0.983
CHEMBL3025 Carbonic anhydrase VI Homo sapiens 0.981
CHEMBL261 Carbonic anhydrase I Homo sapiens 0.911

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
369.9 369.0914 1.61 3 92.5 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.41 4.01 2.21 2.2 1 24 0.85

Structural Alerts

There are 2 structural alerts for CHEMBL2104484. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UHLOVGKIEARANS-QZHINBJYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2104484



ACToR 73803-48-2
IBM Patent System AE0E2DC5F595ABCE8C442A4DAE6DDDD8
PubChem 636401
PubChem: Thomson Pharma 14755299
SureChEMBL SCHEMBL49666
ZINC ZINC000001481940

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