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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2104910
CHEMBL2104910
Compound Name SULFADICRAMIDE
ChEMBL Synonyms SULFADICRAMIDE | SULFADICROLAMIDE
Max Phase 0
Trade Names
Molecular Formula C11H14N2O3S

Additional synonyms for CHEMBL2104910 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=CC(=O)NS(=O)(=O)c1ccc(N)cc1)C
Standard InChI InChI=1S/C11H14N2O3S/c1-8(2)7-11(14)13-17(15,16)10-5-3-9(12) ...
Download InChI
Standard InChI Key XRVJPLDTMUSSDE-UHFFFAOYSA-N

Sources

  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL2104910

Molecule Features

CHEMBL2104910 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 SULFADICRAMIDE
The Cochrane Collaboration SULFADICRAMIDE

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL2104910. 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
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 1.000
CHEMBL3242 Carbonic anhydrase XII Homo sapiens 1.000
CHEMBL205 Carbonic anhydrase II Homo sapiens 1.000
CHEMBL3510 Carbonic anhydrase XIV Homo sapiens 0.999
CHEMBL261 Carbonic anhydrase I Homo sapiens 0.999
CHEMBL3025 Carbonic anhydrase VI Homo sapiens 0.994
CHEMBL4789 Carbonic anhydrase VA Homo sapiens 0.993
CHEMBL2326 Carbonic anhydrase VII Homo sapiens 0.981
CHEMBL3969 Carbonic anhydrase VB Homo sapiens 0.906
CHEMBL308 Cyclin-dependent kinase 1 Homo sapiens 0.765
CHEMBL321 Matrix metalloproteinase 9 Homo sapiens 0.667
CHEMBL4685 Indoleamine 2,3-dioxygenase Homo sapiens 0.594
CHEMBL2186 Carbonic anhydrase XIII Mus musculus 0.593
CHEMBL333 Matrix metalloproteinase-2 Homo sapiens 0.497
CHEMBL204 Thrombin Homo sapiens 0.482
CHEMBL5631 Uncharacterized protein Rv1284/MT1322 Mycobacterium tuberculosis 0.388
CHEMBL3710 Prostanoid EP3 receptor Homo sapiens 0.362
CHEMBL4211 Carbonic anhydrase 1 Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori) 0.312



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 1.000
CHEMBL3242 Carbonic anhydrase XII Homo sapiens 1.000
CHEMBL205 Carbonic anhydrase II Homo sapiens 1.000
CHEMBL3510 Carbonic anhydrase XIV Homo sapiens 1.000
CHEMBL261 Carbonic anhydrase I Homo sapiens 1.000
CHEMBL4789 Carbonic anhydrase VA Homo sapiens 0.999
CHEMBL3969 Carbonic anhydrase VB Homo sapiens 0.994
CHEMBL3025 Carbonic anhydrase VI Homo sapiens 0.950
CHEMBL2326 Carbonic anhydrase VII Homo sapiens 0.944
CHEMBL3729 Carbonic anhydrase IV Homo sapiens 0.667
CHEMBL4361 Induced myeloid leukemia cell differentiation protein Mcl-1 Homo sapiens 0.651
CHEMBL333 Matrix metalloproteinase-2 Homo sapiens 0.615
CHEMBL321 Matrix metalloproteinase 9 Homo sapiens 0.572
CHEMBL5631 Uncharacterized protein Rv1284/MT1322 Mycobacterium tuberculosis 0.549
CHEMBL4625 Apoptosis regulator Bcl-X Homo sapiens 0.493
CHEMBL308 Cyclin-dependent kinase 1 Homo sapiens 0.487
CHEMBL5973 Carbonic anhydrase 15 Mus musculus 0.433
CHEMBL2622 Aldose reductase Rattus norvegicus 0.343
CHEMBL204 Thrombin Homo sapiens 0.332
CHEMBL4211 Carbonic anhydrase 1 Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori) 0.261

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
254.3 254.0725 1.32 3 97.64 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.02 .9 .86 -.92 1 17 0.63

Structural Alerts

There are 6 structural alerts for CHEMBL2104910. To view alerts please click here.

Compound Cross References

ATC S - SENSORY ORGANS
S01 - OPHTHALMOLOGICALS
S01A - ANTIINFECTIVES
S01AB - Sulfonamides
S01AB03 - sulfadicramide

ChemSpider ChemSpider:XRVJPLDTMUSSDE-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2104910



ACToR 115-68-4
ChEBI 135039
DrugCentral 3560
EPA CompTox Dashboard DTXSID90150922
FDA SRS 7WZ5EG263C
IBM Patent System 2CC1AD61EED6D20AE01D6A88B19241C2
MolPort MolPort-006-110-688
Nikkaji J248.697K
PubChem 8281
PubChem: Thomson Pharma 15221307
SureChEMBL SCHEMBL148942
ZINC ZINC000000002093

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