Detailed information for compound 1119966

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 365.835 | Formula: C16H16ClN3O3S
  • H donors: 1 H acceptors: 5 LogP: 2.47 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)S(=O)(=O)N1C2CCCC1c1c(C2)nc(nc1)O
  • InChi: 1S/C16H16ClN3O3S/c17-10-4-6-12(7-5-10)24(22,23)20-11-2-1-3-15(20)13-9-18-16(21)19-14(13)8-11/h4-7,9,11,15H,1-3,8H2,(H,18,19,21)
  • InChiKey: XATGEBFFLWFKNJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0068 0.0544 0.2119
Schistosoma mansoni carbonic anhydrase 0.0057 0.0443 0.1705
Mycobacterium ulcerans carbonic anhydrase 0.0057 0.0443 0.0389
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0037 0.0278 0.0224
Trichomonas vaginalis esterase, putative 0.0039 0.0289 0.0268
Loa Loa (eye worm) hypothetical protein 0.0127 0.1051 0.4261
Brugia malayi latrophilin 2 splice variant baaae 0.0075 0.0599 0.2428
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0378 0.1802
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.0033 0.0031
Loa Loa (eye worm) carbonic anhydrase 3 0.0235 0.1975 0.801
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0131 0.0391
Trypanosoma brucei cytochrome P450, putative 0.0021 0.0136 0.0419
Echinococcus granulosus smad 0.0009 0.0033 0.0031
Mycobacterium tuberculosis Probable hydrolase 0.0039 0.0289 0.0246
Mycobacterium tuberculosis Conserved protein 0.0039 0.0289 0.0246
Brugia malayi CXXC zinc finger family protein 0.0032 0.0235 0.0952
Loa Loa (eye worm) hypothetical protein 0.0127 0.1051 0.4261
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0289 0.1073
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0235 0.1975 0.801
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0131 0.5
Echinococcus multilocularis carbonic anhydrase 0.0127 0.1051 0.5254
Schistosoma mansoni carbonic anhydrase-related 0.0127 0.1051 0.4197
Schistosoma mansoni carbonic anhydrase-related 0.0127 0.1051 0.4197
Schistosoma mansoni cytochrome P450 0.0011 0.0056 0.0118
Plasmodium falciparum carbonic anhydrase 0.0127 0.1051 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0289 0.1343
Schistosoma mansoni ap endonuclease 0.002 0.0131 0.0426
Schistosoma mansoni cpg binding protein 0.0034 0.025 0.0915
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0131 0.0532
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.0033 0.0031
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0235 0.1975 0.7987
Echinococcus granulosus carbonic anhydrase 0.0127 0.1051 0.5254
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.0289 0.0234
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0378 0.1802
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0378 0.1439
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.0033 0.0135
Plasmodium falciparum inorganic anion exchanger, inorganic anion antiporter 0.0037 0.0278 0.16
Echinococcus granulosus carbonic anhydrase II 0.0235 0.1975 1
Loa Loa (eye worm) glutaminase 2 0.0293 0.2466 1
Brugia malayi Cytochrome P450 family protein 0.0011 0.0056 0.0228
Plasmodium vivax sulfate transporter, putative 0.0037 0.0278 0.9328
Mycobacterium tuberculosis Probable lipase LipD 0.0039 0.0289 0.0246
Toxoplasma gondii hypothetical protein 0.0127 0.1051 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0127 0.1051 0.4261
Leishmania major carbonic anhydrase family protein, putative 0.0057 0.0443 0.2016
Loa Loa (eye worm) hypothetical protein 0.0075 0.0599 0.2428
Brugia malayi Smad1 0.0009 0.0033 0.0135
Brugia malayi Cytochrome P450 family protein 0.0021 0.0136 0.0553
Schistosoma mansoni smad 0.0009 0.0033 0.0025
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0289 0.1213
Echinococcus multilocularis 0.0011 0.0056 0.0148
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0131 0.0532
Schistosoma mansoni carbonic anhydrase 0.0127 0.1051 0.4197
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0378 0.1439
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0037 0.0278 0.0224
Echinococcus multilocularis cpg binding protein 0.0034 0.025 0.1146
Echinococcus granulosus carbonic anhydrase 0.0127 0.1051 0.5254
Schistosoma mansoni carbonic anhydrase-related 0.0127 0.1051 0.4197
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0131 0.0391
Brugia malayi beta-lactamase family protein 0.0039 0.0289 0.1172
Onchocerca volvulus 0.0039 0.0289 0.0314
Brugia malayi glutaminase DH11.1 0.0293 0.2466 1
Schistosoma mansoni glutaminase 0.0293 0.2466 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0131 0.0534
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.0033 0.0135
Schistosoma mansoni cpg binding protein 0.0034 0.025 0.0915
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0235 0.1975 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0044 0.0086
Mycobacterium leprae conserved hypothetical protein 0.0039 0.0289 0.1049
Brugia malayi Calcitonin receptor-like protein seb-1 0.0109 0.0895 0.3629
Brugia malayi Cytochrome P450 family protein 0.0021 0.0136 0.0553
Trypanosoma cruzi cytochrome P450, putative 0.0021 0.0136 0.0419
Schistosoma mansoni Smad4 0.0009 0.0033 0.0025
Loa Loa (eye worm) hypothetical protein 0.0009 0.0039 0.0159
Loa Loa (eye worm) hypothetical protein 0.0039 0.0289 0.1172
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.0033 0.0031
Brugia malayi MH2 domain containing protein 0.0128 0.1054 0.4273
Loa Loa (eye worm) MH2 domain-containing protein 0.0128 0.1054 0.4273
Mycobacterium tuberculosis Conserved protein 0.0039 0.0289 0.0246
Trichomonas vaginalis glutaminase, putative 0.0293 0.2466 0.245
Trypanosoma brucei carbonic anhydrase-like protein 0.0235 0.1975 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0044 0.0086
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0235 0.1975 0.801
Brugia malayi cytochrome P450 0.0011 0.0056 0.0228
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0131 0.0391
Trypanosoma brucei Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0037 0.0278 0.1158
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0039 0.0289 0.0246
Onchocerca volvulus Putative sulfate transporter 0.0234 0.1965 1
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0289 0.0268
Schistosoma mansoni smad1 5 8 and 0.0009 0.0033 0.0025
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.0255 0.1034
Toxoplasma gondii exonuclease III APE 0.002 0.0131 0.0755
Schistosoma mansoni smad1 5 8 and 0.0009 0.0033 0.0025
Brugia malayi beta-lactamase family protein 0.0039 0.0289 0.1172
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0235 0.1975 0.7987
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0131 0.0534
Loa Loa (eye worm) cytochrome P450 family protein 0.0021 0.0136 0.0553
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.0255 0.1169
Schistosoma mansoni hypothetical protein 0.0011 0.0056 0.0118
Mycobacterium leprae Probable lipase LipE 0.0039 0.0289 0.1049
Echinococcus granulosus carbonic anhydrase 0.0127 0.1051 0.5254
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0035 0.0255 0.1169
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0127 0.1051 0.4261
Schistosoma mansoni ap endonuclease 0.002 0.0131 0.0426
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0127 0.1051 0.4261
Brugia malayi MH1 domain containing protein 0.0009 0.0033 0.0135
Schistosoma mansoni hypothetical protein 0.0075 0.0599 0.2343
Mycobacterium ulcerans lipase LipD 0.0039 0.0289 0.0234
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0039 0.0289 0.0246
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0289 0.1343
Echinococcus multilocularis carbonic anhydrase 0.0127 0.1051 0.5254
Trichomonas vaginalis conserved hypothetical protein 0.1172 1 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0289 0.0268
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0039 0.0289 0.0246
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) 0.0162 0.1347 0.1365
Echinococcus granulosus Smad4 0.0009 0.0033 0.0031
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0235 0.1975 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0131 0.5
Echinococcus granulosus GPCR family 2 0.0035 0.0255 0.1169
Brugia malayi MH1 domain containing protein 0.0009 0.0033 0.0135
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.1115 0.9516 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0378 0.1802
Onchocerca volvulus 0.0039 0.0289 0.0314
Echinococcus multilocularis carbonic anhydrase II 0.0235 0.1975 1
Onchocerca volvulus 0.0039 0.0289 0.0314
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.027 0.2276 0.2347
Schistosoma mansoni hypothetical protein 0.0035 0.0255 0.0934
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0131 0.0076
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.0255 0.1034
Chlamydia trachomatis sulfate transporter 0.0037 0.0278 0.5
Loa Loa (eye worm) CYP4Cod1 0.0021 0.0136 0.0553
Echinococcus multilocularis carbonic anhydrase 0.0127 0.1051 0.5254
Mycobacterium tuberculosis Probable esterase LipL 0.0039 0.0289 0.0246
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0289 0.0268
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0378 0.1534
Mycobacterium ulcerans beta-lactamase 0.0039 0.0289 0.0234
Brugia malayi Latrophilin receptor protein 2 0.0035 0.0255 0.1034
Loa Loa (eye worm) hypothetical protein 0.0039 0.0289 0.1172
Echinococcus multilocularis GPCR, family 2 0.0035 0.0255 0.1169
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0289 0.1172
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0131 0.0079
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0037 0.0278 0.1158
Loa Loa (eye worm) beta-lactamase 0.0039 0.0289 0.1172
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0109 0.0895 0.3629
Loa Loa (eye worm) cytochrome P450 family protein 0.0021 0.0136 0.0553
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0289 0.1073
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.0235 0.0952
Loa Loa (eye worm) Smad1 0.0009 0.0033 0.0135
Schistosoma mansoni hypothetical protein 0.0035 0.0255 0.0934
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0378 0.1439
Toxoplasma gondii ABC1 family protein 0.0039 0.0289 0.2341
Loa Loa (eye worm) hypothetical protein 0.0039 0.0289 0.1172
Leishmania major cytochrome p450-like protein 0.0021 0.0136 0.0419
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0289 0.1172
Toxoplasma gondii histone lysine methyltransferase SET1 0.0061 0.0482 0.4277
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0131 0.0391
Trypanosoma cruzi cytochrome P450, putative 0.0021 0.0136 0.0419
Brugia malayi beta-lactamase 0.0039 0.0289 0.1172
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0289 0.1213
Loa Loa (eye worm) hypothetical protein 0.0127 0.1051 0.4261
Loa Loa (eye worm) hypothetical protein 0.0039 0.0289 0.1172
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0289 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0289 0.0268
Schistosoma mansoni hypothetical protein 0.0127 0.1051 0.4197
Loa Loa (eye worm) hypothetical protein 0.0039 0.0289 0.1172
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.0057 0.0443 0.1742
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0289 0.0268
Mycobacterium ulcerans hypothetical protein 0.0039 0.0289 0.0234
Echinococcus granulosus cpg binding protein 0.0034 0.025 0.1146
Toxoplasma gondii inorganic anion transporter, sulfate permease (SulP) family protein 0.0037 0.0278 0.2235
Brugia malayi Cytochrome P450 family protein 0.0032 0.0231 0.0937
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.0255 0.1169
Leishmania major carbonic anhydrase-like protein 0.0235 0.1975 1
Mycobacterium leprae Probable transmembrane transport protein 0.027 0.2276 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.0895 0.3629
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0131 0.011
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0246 0.2069 0.2127
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0235 0.1975 0.801
Trichomonas vaginalis conserved hypothetical protein 0.1172 1 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0289 0.1172
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0037 0.0278 0.1158
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0131 0.011
Onchocerca volvulus 0.0234 0.1965 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0035 0.0255 0.1169
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0033 0.0025
Schistosoma mansoni smad1 5 8 and 0.0009 0.0033 0.0025
Mycobacterium ulcerans epoxide hydrolase EphA 0.0162 0.1347 0.1299
Brugia malayi MH2 domain containing protein 0.0009 0.0033 0.0135
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0021 0.0136 0.0081
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0327 0.2761 0.2859
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0043 0.0174
Echinococcus multilocularis smad 0.0009 0.0033 0.0031
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0127 0.1051 0.4261
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0289 0.1213
Entamoeba histolytica carbonic anhydrase, putative 0.0057 0.0443 1
Leishmania major hypothetical protein, conserved 0.0039 0.0289 0.1213
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0127 0.1051 0.4261
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0131 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0378 0.1534
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.0033 0.0031
Echinococcus multilocularis Smad4 0.0009 0.0033 0.0031
Schistosoma mansoni hypothetical protein 0.0035 0.0255 0.0934
Echinococcus granulosus cytochrome P450 2K1 0.0011 0.0056 0.0148
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.0289 0.0234
Loa Loa (eye worm) transcription factor SMAD2 0.0128 0.1054 0.4273
Schistosoma mansoni hypothetical protein 0.0035 0.0255 0.0934
Mycobacterium ulcerans glutaminase 0.0293 0.2466 0.2423
Loa Loa (eye worm) cytochrome P450 0.0011 0.0056 0.0228
Loa Loa (eye worm) hypothetical protein 0.0035 0.0255 0.1034
Schistosoma mansoni cpg binding protein 0.0032 0.0235 0.085
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0127 0.1051 0.4261
Mycobacterium tuberculosis Probable lipase LipE 0.0039 0.0289 0.0246
Mycobacterium tuberculosis Conserved protein 0.0039 0.0289 0.0246
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0109 0.0895 0.3629
Mycobacterium ulcerans integral membrane transporter 0.0037 0.0278 0.0224
Brugia malayi MH2 domain containing protein 0.0009 0.0033 0.0135
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0378 0.1802
Loa Loa (eye worm) glutaminase 0.0293 0.2466 1
Loa Loa (eye worm) histone methyltransferase 0.001 0.0044 0.0179
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.0231 0.0937

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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