Detailed information for compound 898030

Basic information

Technical information
  • TDR Targets ID: 898030
  • Name: 4-chloro-N-(7,8,9,10-tetrahydronaphtho[4,3-b] [1]benzoxol-5-yl)benzenesulfonamide
  • MW: 411.901 | Formula: C22H18ClNO3S
  • H donors: 1 H acceptors: 2 LogP: 5.96 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)S(=O)(=O)Nc1cc2c3CCCCc3oc2c2c1cccc2
  • InChi: 1S/C22H18ClNO3S/c23-14-9-11-15(12-10-14)28(25,26)24-20-13-19-17-6-3-4-8-21(17)27-22(19)18-7-2-1-5-16(18)20/h1-2,5,7,9-13,24H,3-4,6,8H2
  • InChiKey: YCHKXMYDHIGDMS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-chloro-N-(7,8,9,10-tetrahydronaphtho[4,3-b]benzofuran-5-yl)benzenesulfonamide
  • ChemDiv1_023097
  • ZINC03170347
  • ChemDivAM_001123
  • AQ-390/13304144

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus dynactin 5 p25 0.0081 0.0123 0.0123
Echinococcus granulosus geminin 0.0176 0.0365 0.0365
Chlamydia trachomatis sulfate transporter 0.0038 0.0011 0.5
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.1046 0.2589 0.9286
Trypanosoma brucei RNA helicase, putative 0.0138 0.0268 0.0258
Mycobacterium leprae PROBABLE TRANSFERASE 0.0078 0.0115 0.0249
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.1685 0.4221 0.4219
Loa Loa (eye worm) hypothetical protein 0.0037 0.0011 0.0007
Brugia malayi beta-lactamase family protein 0.0037 0.0011 0.0007
Loa Loa (eye worm) hypothetical protein 0.0037 0.0011 0.0007
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1685 0.4221 0.4219
Echinococcus granulosus acetylcholinesterase 0.0141 0.0276 0.0276
Trypanosoma cruzi hypothetical protein, conserved 0.0047 0.0034 0.0024
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0011 0.0007
Plasmodium vivax sulfate transporter, putative 0.0038 0.0011 1
Loa Loa (eye worm) hypothetical protein 0.3052 0.7714 0.7713
Brugia malayi hypothetical protein 0.0037 0.0011 0.0007
Mycobacterium ulcerans transferase 0.0078 0.0115 0.0238
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0038 0.0011 0.0001
Mycobacterium ulcerans integral membrane transporter 0.0038 0.0011 0.0001
Trichomonas vaginalis conserved hypothetical protein 0.175 0.4388 1
Schistosoma mansoni carbonic anhydrase-related 0.1685 0.4221 0.4219
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0011 0.0007
Brugia malayi Carboxylesterase family protein 0.0141 0.0276 0.0273
Entamoeba histolytica acetyltransferase, putative 0.0081 0.0123 0.0268
Loa Loa (eye worm) hypothetical protein 0.0037 0.0011 0.0007
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1685 0.4221 0.4219
Echinococcus multilocularis geminin 0.0176 0.0365 0.0362
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.1673 0.4189 1
Toxoplasma gondii inorganic anion transporter, sulfate permease (SulP) family protein 0.0038 0.0011 0.0019
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0141 0.0276 0.0273
Echinococcus multilocularis acetylcholinesterase 0.0141 0.0276 0.0273
Mycobacterium ulcerans carbonic anhydrase 0.175 0.4388 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0141 0.0276 0.0273
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0011 0.9373
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.3947 1 1
Onchocerca volvulus 0.0078 0.0115 0.1825
Loa Loa (eye worm) beta-lactamase 0.0037 0.0011 0.0007
Echinococcus multilocularis carbonic anhydrase 0.1685 0.4221 0.4219
Schistosoma mansoni carbonic anhydrase-related 0.1685 0.4221 0.4219
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.0081 0.0123 1
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.1124 0.2787 1
Schistosoma mansoni carbonic anhydrase 0.1685 0.4221 0.4219
Mycobacterium ulcerans carbonic anhydrase 0.1673 0.4189 0.9547
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0239 0.0526 0.1855
Trichomonas vaginalis maltose O-acetyltransferase, putative 0.0078 0.0115 0.0238
Loa Loa (eye worm) carboxylesterase 0.0141 0.0276 0.0273
Toxoplasma gondii ABC1 family protein 0.0037 0.0011 0.0018
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.3947 1 1
Schistosoma mansoni hypothetical protein 0.0037 0.0011 0.0007
Entamoeba histolytica carbonic anhydrase, putative 0.1673 0.4189 1
Schistosoma mansoni hypothetical protein 0.0176 0.0365 0.0362
Trichomonas vaginalis set domain proteins, putative 0.0274 0.0614 0.1379
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0011 0.0007
Echinococcus multilocularis carbonic anhydrase 0.1685 0.4221 0.4219
Schistosoma mansoni carbonic anhydrase-related 0.1685 0.4221 0.4219
Echinococcus multilocularis carbonic anhydrase II 0.3947 1 1
Loa Loa (eye worm) hypothetical protein 0.0141 0.0276 0.0273
Mycobacterium leprae Probable transmembrane transport protein 0.0273 0.0612 0.1438
Brugia malayi beta-lactamase 0.0037 0.0011 0.0007
Echinococcus granulosus acetylcholinesterase 0.0141 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0037 0.0011 0.0007
Trypanosoma brucei hypothetical protein, conserved 0.0047 0.0034 0.0024
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.1685 0.4221 0.4219
Wolbachia endosymbiont of Brugia malayi 2,3,4,5-tetrahydropyridine-2,6-carboxylate N-succinyltransferase 0.0081 0.0123 1
Onchocerca volvulus 0.0037 0.0011 0.0121
Brugia malayi Putative carbonic anhydrase 5 precursor 0.3947 1 1
Echinococcus granulosus carbonic anhydrase 0.1685 0.4221 0.4221
Mycobacterium tuberculosis Probable serine acetyltransferase CysE (sat) 0.0081 0.0123 0.0404
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0268 0.0599 0.0596
Leishmania major carbonic anhydrase family protein, putative 0.1673 0.4189 0.4183
Entamoeba histolytica bacterial transferase hexapeptide family protein 0.0047 0.0034 0.0056
Schistosoma mansoni hypothetical protein 0.0138 0.0268 0.0265
Schistosoma mansoni hypothetical protein 0.1685 0.4221 0.4219
Echinococcus granulosus carboxylesterase 5A 0.0141 0.0276 0.0276
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0011 0.0011
Onchocerca volvulus Putative sulfate transporter 0.0236 0.0518 0.8424
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0003 0.0003
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0273 0.0612 0.2164
Onchocerca volvulus 0.0037 0.0011 0.0121
Echinococcus multilocularis carbonic anhydrase 0.1685 0.4221 0.4219
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.0115 0.0238
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.024 0.053 0.0526
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0038 0.0011 0.0001
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0011 0.0007
Loa Loa (eye worm) hypothetical protein 0.1685 0.4221 0.4219
Loa Loa (eye worm) carbonic anhydrase 3 0.3947 1 1
Toxoplasma gondii hypothetical protein 0.1685 0.4221 1
Brugia malayi Pre-SET motif family protein 0.024 0.053 0.0526
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0011 0.0007
Echinococcus granulosus carbonic anhydrase 0.1685 0.4221 0.4221
Loa Loa (eye worm) hypothetical protein 0.1685 0.4221 0.4219
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0011 0.0007
Loa Loa (eye worm) hypothetical protein 0.0037 0.0011 0.0007
Brugia malayi follicle stimulating hormone receptor 0.0268 0.0599 0.0596
Trichomonas vaginalis conserved hypothetical protein 0.175 0.4388 1
Brugia malayi beta-lactamase family protein 0.0037 0.0011 0.0007
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.3947 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0037 0.0011 0.0007
Loa Loa (eye worm) hypothetical protein 0.0141 0.0276 0.0273
Echinococcus multilocularis acetylcholinesterase 0.0141 0.0276 0.0273
Echinococcus granulosus carbonic anhydrase II 0.3947 1 1
Onchocerca volvulus 0.0236 0.0518 0.8424
Trypanosoma brucei carbonic anhydrase-like protein 0.3947 1 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.3947 1 1
Entamoeba histolytica ankyrin, putative 0.0081 0.0123 0.0268
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0899 0.2212 0.793
Onchocerca volvulus 0.0037 0.0011 0.0121
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.3947 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0047 0.0034 0.0024
Echinococcus granulosus carbonic anhydrase 0.1685 0.4221 0.4221
Plasmodium falciparum carbonic anhydrase 0.1685 0.4221 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1685 0.4221 0.4219
Mycobacterium ulcerans hypothetical protein 0.0047 0.0034 0.0054
Schistosoma mansoni hypothetical protein 0.0176 0.0365 0.0362
Echinococcus multilocularis carboxylesterase 5A 0.0141 0.0276 0.0273
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0011 0.0007
Schistosoma mansoni carbonic anhydrase 0.1673 0.4189 0.4188
Brugia malayi Carboxylesterase family protein 0.0141 0.0276 0.0273
Leishmania major hypothetical protein, conserved 0.0047 0.0034 0.0024
Mycobacterium tuberculosis Possible siderophore-binding protein 0.0047 0.0034 0.0085
Leishmania major carbonic anhydrase-like protein 0.3947 1 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.1685 0.4221 0.4219
Onchocerca volvulus 0.0274 0.0614 1

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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