Detailed information for compound 708612

Basic information

Technical information
  • TDR Targets ID: 708612
  • Name: 1-(5-chloro-2-ethoxyphenyl)sulfonylazepane
  • MW: 317.832 | Formula: C14H20ClNO3S
  • H donors: 0 H acceptors: 2 LogP: 3.24 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1S(=O)(=O)N1CCCCCC1)Cl
  • InChi: 1S/C14H20ClNO3S/c1-2-19-13-8-7-12(15)11-14(13)20(17,18)16-9-5-3-4-6-10-16/h7-8,11H,2-6,9-10H2,1H3
  • InChiKey: BPCYPJRJQBUSLF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(5-chloro-2-ethoxy-phenyl)sulfonylazepane
  • ZINC04857118

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 multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.2074 0.2074
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0167 0.418 0.418
Plasmodium falciparum phosphoglycerate kinase 0.0175 0.4403 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0101 0.2305 0.271
Trypanosoma cruzi 3-phosphoglycerate kinase, glycosomal 0.0064 0.1272 0.144
Brugia malayi beta-lactamase family protein 0.0037 0.0502 0.0679
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0073 0.1532 0.1532
Loa Loa (eye worm) hypothetical protein 0.0037 0.0502 0.0679
Loa Loa (eye worm) RecQ helicase 0.0047 0.0774 0.1046
Loa Loa (eye worm) hypothetical protein 0.0143 0.351 0.4742
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0502 0.0679
Brugia malayi Phosphoglycerate kinase 0.0175 0.4403 0.5949
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0053 0.096 0.1057
Trypanosoma brucei DNA polymerase kappa, putative 0.0057 0.1079 0.1204
Brugia malayi Bloom's syndrome protein homolog 0.0047 0.0774 0.1046
Schistosoma mansoni hypothetical protein 0.0066 0.1332 0.1332
Loa Loa (eye worm) latrophilin receptor protein 2 0.0066 0.1332 0.18
Chlamydia trachomatis phosphoglycerate kinase 0.0175 0.4403 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.0502 0.0679
Trypanosoma brucei DNA polymerase IV, putative 0.0094 0.2113 0.2474
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.069 0.0725
Echinococcus granulosus dna polymerase kappa 0.0101 0.2305 0.2305
Brugia malayi Latrophilin receptor protein 2 0.0066 0.1332 0.18
Loa Loa (eye worm) pip kinase 2 0.0167 0.418 0.5648
Trichomonas vaginalis esterase, putative 0.0037 0.0502 0.0473
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0101 0.2305 0.2962
Trypanosoma brucei DNA polymerase kappa, putative 0.0101 0.2305 0.271
Echinococcus granulosus phosphatidylinositol 5 phosphate 4 kinase type 2 0.0167 0.418 0.418
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0066 0.1332 0.1332
Brugia malayi ImpB/MucB/SamB family protein 0.0073 0.1532 0.2069
Onchocerca volvulus Huntingtin homolog 0.0132 0.3198 0.7329
Mycobacterium ulcerans phosphoglycerate kinase 0.0175 0.4403 0.5893
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.003 0.0292 0.0663
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0502 0.0551
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0502 0.0679
Toxoplasma gondii phosphoglycerate kinase PGKI 0.0175 0.4403 1
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0502 0.0495
Loa Loa (eye worm) hypothetical protein 0.0132 0.3198 0.4321
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0066 0.1332 0.1332
Loa Loa (eye worm) glutaminase 2 0.028 0.7402 1
Trypanosoma brucei DNA polymerase kappa, putative 0.008 0.1723 0.1996
Schistosoma mansoni hypothetical protein 0.0372 1 1
Schistosoma mansoni phosphoglycerate kinase 0.0175 0.4403 0.4403
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.2074 0.2074
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.031 0.8234 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0101 0.2305 0.271
Mycobacterium ulcerans DNA polymerase IV 0.0101 0.2305 0.3019
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0092 0.2074 0.2803
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0073 0.1532 0.1532
Loa Loa (eye worm) hypothetical protein 0.0141 0.3463 0.4679
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0064 0.1272 0.144
Trypanosoma cruzi DNA polymerase kappa, putative 0.0101 0.2305 0.271
Brugia malayi Phosphoglycerate kinase 0.0064 0.1272 0.1718
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0147 0.361 0.4315
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0236 0.6142 1
Echinococcus granulosus GPCR family 2 0.0066 0.1332 0.1332
Brugia malayi beta-lactamase family protein 0.0037 0.0502 0.0679
Trypanosoma brucei phosphoglycerate kinase 0.0175 0.4403 0.529
Leishmania major DNA polymerase eta, putative 0.0124 0.2976 0.3535
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0023 0.01 0.0228
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0209 0.5386 0.7277
Loa Loa (eye worm) hypothetical protein 0.0037 0.0502 0.0679
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0025 0.016 0.0074
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.2074 0.2074
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0502 0.0551
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0273 0.7199 0.9726
Toxoplasma gondii ABC1 family protein 0.0037 0.0502 0.1141
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0175 0.4403 0.529
Schistosoma mansoni phosphoglycerate kinase 0.0175 0.4403 0.4403
Trypanosoma brucei DNA polymerase kappa, putative 0.0057 0.1079 0.1204
Schistosoma mansoni hypothetical protein 0.0372 1 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0074 0.1544 0.1776
Loa Loa (eye worm) hypothetical protein 0.0124 0.2976 0.4021
Schistosoma mansoni DNA polymerase eta 0.0124 0.2976 0.2976
Mycobacterium ulcerans glutaminase 0.028 0.7402 1
Entamoeba histolytica phosphoglycerate kinase, putative 0.0175 0.4403 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.008 0.1723 0.1996
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0502 0.0473
Schistosoma mansoni hypothetical protein 0.0066 0.1332 0.1332
Echinococcus granulosus dna polymerase eta 0.0124 0.2976 0.2976
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0175 0.4403 0.529
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0025 0.016 0.0074
Trypanosoma brucei DNA polymerase kappa, putative 0.0101 0.2305 0.271
Schistosoma mansoni DNA polymerase IV / kappa 0.0023 0.01 0.01
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase 0.0175 0.4403 0.5
Loa Loa (eye worm) hypothetical protein 0.0175 0.4403 0.5949
Loa Loa (eye worm) hypothetical protein 0.0209 0.5386 0.7277
Trypanosoma brucei DNA polymerase kappa, putative 0.0057 0.1079 0.1204
Mycobacterium ulcerans beta-lactamase 0.0037 0.0502 0.0551
Trypanosoma brucei unspecified product 0.0094 0.2113 0.2474
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0502 0.0495
Trypanosoma brucei DNA polymerase IV, putative 0.0101 0.2305 0.271
Trypanosoma brucei DNA polymerase kappa, putative 0.0101 0.2305 0.271
Trypanosoma brucei DNA polymerase kappa, putative 0.0101 0.2305 0.271
Entamoeba histolytica deoxycytidyl transferase, putative 0.0073 0.1532 0.3233
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.0873 0.095
Leishmania major DNA polymerase eta, putative 0.0074 0.1544 0.1776
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0167 0.418 0.418
Giardia lamblia DNA damage repair protein 0.0023 0.01 0.0228
Leishmania major phosphoglycerate kinase C, glycosomal 0.0175 0.4403 0.529
Brugia malayi hypothetical protein 0.0132 0.3198 0.4321
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0073 0.1532 0.1532
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0175 0.4403 0.5859
Echinococcus granulosus bloom syndrome protein 0.0047 0.0774 0.0774
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0064 0.1272 0.144
Brugia malayi Pip kinase protein 2 0.0167 0.418 0.5648
Leishmania major DNA polymerase kappa, putative 0.008 0.1723 0.1996
Brugia malayi polk-prov protein 0.005 0.0873 0.118
Leishmania major phosphoglycerate kinase B, cytosolic 0.0175 0.4403 0.529
Mycobacterium ulcerans lipase LipD 0.0037 0.0502 0.0551
Trypanosoma brucei DNA polymerase kappa, putative 0.0101 0.2305 0.271
Mycobacterium tuberculosis Conserved hypothetical protein 0.0073 0.1532 0.1825
Trichomonas vaginalis DNA helicase recq, putative 0.0047 0.0774 0.0848
Echinococcus multilocularis GPCR, family 2 0.0066 0.1332 0.1332
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0031 0.0347 0.0574
Trypanosoma brucei DNA polymerase kappa, putative 0.0101 0.2305 0.271
Echinococcus multilocularis phosphoglycerate kinase 1 0.0175 0.4403 0.4403
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0092 0.2074 0.2803
Trypanosoma brucei DNA polymerase eta, putative 0.0124 0.2976 0.3535
Trypanosoma brucei phosphoglycerate kinase 0.0064 0.1272 0.144
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk 0.0175 0.4403 0.6916
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0502 0.0495
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0502 0.0502
Mycobacterium leprae Probable phosphoglycerate kinase Pgk 0.0175 0.4403 1
Onchocerca volvulus Huntingtin homolog 0.0132 0.3198 0.7329
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0502 0.0473
Plasmodium vivax phosphoglycerate kinase, putative 0.0175 0.4403 1
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0044 0.069 0.0725
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0502 0.0502
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0031 0.0337 0.0764
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.2074 0.2074
Loa Loa (eye worm) hypothetical protein 0.0037 0.0502 0.0679
Loa Loa (eye worm) hypothetical protein 0.0037 0.0502 0.0679
Schistosoma mansoni blooms syndrome DNA helicase 0.0037 0.0497 0.0497
Trypanosoma cruzi DNA polymerase kappa, putative 0.0101 0.2305 0.271
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0025 0.016 0.0074
Loa Loa (eye worm) hypothetical protein 0.0037 0.0502 0.0679
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0502 0.0502
Trichomonas vaginalis DNA helicase recq1, putative 0.0047 0.0774 0.0848
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0066 0.1332 0.1332
Leishmania major mitochondrial DNA polymerase beta 0.031 0.8234 1
Trypanosoma brucei phosphoglycerate kinase 0.0175 0.4403 0.529
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0147 0.361 0.4315
Echinococcus multilocularis dna polymerase eta 0.0124 0.2976 0.2976
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0064 0.1272 0.144
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0147 0.361 0.4315
Mycobacterium ulcerans hypothetical protein 0.0037 0.0502 0.0551
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0041 0.0614 0.1394
Trypanosoma cruzi DNA polymerase kappa, putative 0.0101 0.2305 0.271
Loa Loa (eye worm) hypothetical protein 0.0132 0.3198 0.4321
Trypanosoma brucei phosphoglycerate kinase, putative 0.0064 0.1272 0.144
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0502 0.0473
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.069 0.0725
Echinococcus multilocularis bloom syndrome protein 0.0047 0.0774 0.0774
Schistosoma mansoni terminal deoxycytidyl transferase 0.0073 0.1532 0.1532
Trypanosoma brucei unspecified product 0.0051 0.0887 0.0968
Schistosoma mansoni glutaminase 0.028 0.7402 0.7402
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0502 0.0473
Mycobacterium tuberculosis Conserved hypothetical protein 0.0163 0.408 0.6343
Mycobacterium ulcerans hypothetical protein 0.0163 0.408 0.5451
Giardia lamblia DINP protein human, muc B family 0.008 0.1723 0.3915
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.2074 0.2074
Schistosoma mansoni hypothetical protein 0.0066 0.1332 0.1332
Trichomonas vaginalis DNA polymerase eta, putative 0.0101 0.2305 0.2962
Trypanosoma brucei DNA polymerase kappa, putative 0.0101 0.2305 0.271
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.2074 0.2074
Brugia malayi beta-lactamase 0.0037 0.0502 0.0679
Onchocerca volvulus 0.0167 0.418 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.008 0.1723 0.2165
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0502 0.0473
Trypanosoma cruzi DNA polymerase eta, putative 0.0124 0.2976 0.3535
Brugia malayi glutaminase DH11.1 0.028 0.7402 1
Trypanosoma brucei unspecified product 0.0051 0.0887 0.0968
Toxoplasma gondii phosphoglycerate kinase PGKII 0.0175 0.4403 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0209 0.5386 0.7277
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.2074 0.2074
Brugia malayi Calcitonin receptor-like protein seb-1 0.0209 0.5386 0.7277
Trypanosoma brucei DNA polymerase IV, putative 0.0101 0.2305 0.271
Brugia malayi ImpB/MucB/SamB family protein 0.0124 0.2976 0.4021
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0175 0.4403 0.5859
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0074 0.1544 0.3508
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0064 0.1272 0.144
Echinococcus multilocularis geminin 0.0372 1 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0044 0.069 0.0725
Treponema pallidum phosphoglycerate kinase 0.0175 0.4403 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0502 0.0502
Loa Loa (eye worm) glutaminase 0.028 0.7402 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0073 0.1532 0.2069
Loa Loa (eye worm) beta-lactamase 0.0037 0.0502 0.0679
Loa Loa (eye worm) hypothetical protein 0.0066 0.1332 0.18
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0066 0.1332 0.1332
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0502 0.0935
Schistosoma mansoni hypothetical protein 0.0066 0.1332 0.1332
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0066 0.1332 0.18
Echinococcus multilocularis dna polymerase kappa 0.0101 0.2305 0.2305
Schistosoma mansoni hypothetical protein 0.0143 0.351 0.351
Loa Loa (eye worm) hypothetical protein 0.005 0.0873 0.118
Giardia lamblia Phosphoglycerate kinase 0.0175 0.4403 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.031 0.8234 1
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0064 0.1272 0.144
Brugia malayi latrophilin 2 splice variant baaae 0.0143 0.351 0.4742
Toxoplasma gondii hypothetical protein 0.005 0.0872 0.198
Plasmodium falciparum DNA repair protein REV1, putative 0.0023 0.01 0.0228
Brugia malayi follicle stimulating hormone receptor 0.0273 0.7199 0.9726
Echinococcus granulosus phosphoglycerate kinase 1 0.0175 0.4403 0.4403
Echinococcus multilocularis phosphatidylinositol 5 phosphate 4 kinase type 2 0.0167 0.418 0.418
Leishmania major hypothetical protein, conserved 0.0037 0.0502 0.0495
Trypanosoma cruzi DNA polymerase kappa, putative 0.0101 0.2305 0.271
Mycobacterium ulcerans DNA polymerase IV 0.0101 0.2305 0.3019
Loa Loa (eye worm) hypothetical protein 0.0167 0.418 0.5648
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.0873 0.095
Trichomonas vaginalis glutaminase, putative 0.028 0.7402 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.031 0.8234 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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