Detailed information for compound 1352036

Basic information

Technical information
  • TDR Targets ID: 1352036
  • Name: 1-phenylsulfonyl-N-[2-(4-sulfamoylphenyl)ethy l]piperidine-2-carboxamide
  • MW: 451.56 | Formula: C20H25N3O5S2
  • H donors: 2 H acceptors: 5 LogP: 1.82 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCCCN1S(=O)(=O)c1ccccc1)NCCc1ccc(cc1)S(=O)(=O)N
  • InChi: 1S/C20H25N3O5S2/c21-29(25,26)17-11-9-16(10-12-17)13-14-22-20(24)19-8-4-5-15-23(19)30(27,28)18-6-2-1-3-7-18/h1-3,6-7,9-12,19H,4-5,8,13-15H2,(H,22,24)(H2,21,25,26)
  • InChiKey: DOSVXIZZKMBKRV-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

  • 1-phenylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]-2-piperidinecarboxamide
  • 1-phenylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]pipecolinamide
  • T5329900
  • MLS000881080
  • MLS000053717
  • SMR000064420

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0065 0.0229 0.1268
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0052 0.0126 0.4145
Trypanosoma brucei carnitine O-acetyltransferase, putative 0.0052 0.0126 0.4145
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0065 0.0229 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0053 0.0053
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0052 0.0126 0.0074
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0065 0.0229 0.1268
Loa Loa (eye worm) hypothetical protein 0.0043 0.0053 0.0053
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0214 0.144 0.1395
Brugia malayi MAP kinase sur-1 0.0062 0.0199 0.0148
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0148 0.0148
Loa Loa (eye worm) acetylcholinesterase 1 0.1268 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0148 0.0096
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0148 0.0096
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0148 0.0096
Loa Loa (eye worm) hypothetical protein 0.1268 1 1
Echinococcus granulosus acetylcholinesterase 0.1268 1 1
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0065 0.0229 0.0229
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0052 0.0126 0.0074
Echinococcus multilocularis acetylcholinesterase 0.1268 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0052 0.0126 0.4145
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0065 0.0229 1
Brugia malayi Carboxylesterase family protein 0.0214 0.144 0.1395
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0065 0.0229 0.0177
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0053 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0053 0.0053
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.0052 0.0126 0.0074
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0065 0.0229 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0148 0.0096
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.0199 0.0148
Schistosoma mansoni immunophilin 0.0065 0.0229 0.0177
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0214 0.144 1
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0065 0.0229 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.0126 0.0126
Trypanosoma brucei hypothetical protein, conserved 0.0052 0.0126 0.4145
Onchocerca volvulus 0.0043 0.0053 0.0367
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.0052 0.0126 0.0126
Echinococcus granulosus chromobox protein 1 0.0084 0.0383 0.0332
Echinococcus granulosus choline O acetyltransferase 0.0351 0.2552 0.2513
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.4234 0.4204
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.0052 0.0126 0.0126
Loa Loa (eye worm) hypothetical protein 0.0214 0.144 0.144
Loa Loa (eye worm) hypothetical protein 0.0043 0.0053 0.0053
Onchocerca volvulus 0.0043 0.0053 0.0367
Loa Loa (eye worm) beta-lactamase 0.0043 0.0053 0.0053
Brugia malayi Choline O-acetyltransferase 0.0351 0.2552 0.2513
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.0199 0.8333
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0052 0.0126 0.0074
Schistosoma mansoni acetylcholinesterase 0.0214 0.144 0.1395
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0199 0.1057
Loa Loa (eye worm) hypothetical protein 0.0047 0.0083 0.0083
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0052 0.0126 0.4145
Trypanosoma cruzi hypothetical protein, conserved 0.0052 0.0126 0.4145
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0383 0.238
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0065 0.0229 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0199 0.8333
Leishmania major peptidylprolyl isomerase-like protein 0.0065 0.0229 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0083 0.0575
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0065 0.0229 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0053 0.0053
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0056 0.0156 0.0104
Onchocerca volvulus 0.0214 0.144 1
Echinococcus multilocularis acetylcholinesterase 0.1268 1 1
Trichomonas vaginalis fk506-binding protein, putative 0.0065 0.0229 0.1268
Echinococcus multilocularis chromobox protein 1 0.0084 0.0383 0.0332
Leishmania major carnitine palmitoyltransferase-like protein 0.0052 0.0126 0.4145
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0148 0.0096
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0199 0.0148
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.0199 0.8333
Loa Loa (eye worm) hypothetical protein 0.0214 0.144 0.144
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.0199 0.8333
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0383 0.238
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0065 0.0229 0.0177
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.0199 0.8333
Loa Loa (eye worm) hypothetical protein 0.0351 0.2552 0.2552
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.0199 0.0148
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0214 0.144 0.1395
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0112 0.0776
Leishmania major fk506-binding protein 1-like protein 0.0065 0.0229 1
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0052 0.0126 0.4145
Onchocerca volvulus 0.0043 0.0053 0.0367
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0214 0.144 0.1395
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0083 0.0216
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.0199 0.0148
Onchocerca volvulus 0.0214 0.144 1
Brugia malayi Carboxylesterase family protein 0.0214 0.144 0.1395
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1268 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0052 0.0126 0.4145
Echinococcus granulosus neuroligin 0.0214 0.144 0.1395
Schistosoma mansoni choline o-acyltransferase 0.0052 0.0126 0.0074
Echinococcus granulosus acetylcholinesterase 0.1268 1 1
Loa Loa (eye worm) FKBP5 protein 0.0065 0.0229 0.0229
Echinococcus granulosus carboxylesterase 5A 0.1268 1 1
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.0052 0.0126 0.4145
Schistosoma mansoni chromobox protein 0.0084 0.0383 0.0332
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0112 0.0425
Echinococcus granulosus BC026374 protein S09 family 0.0214 0.144 0.1395
Schistosoma mansoni gliotactin 0.0214 0.144 0.1395
Trypanosoma brucei carnitine O-palmitoyltransferase, putative 0.0052 0.0126 0.4145
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.0052 0.0126 0.0074
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.4234 0.4204
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0199 0.1057
Onchocerca volvulus 0.0052 0.0126 0.0873
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.1955 1
Trypanosoma cruzi carnitine O-palmitoyltransferase II, putative 0.0052 0.0126 0.4145
Loa Loa (eye worm) choline O-acetyltransferase 0.0351 0.2552 0.2552
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.0052 0.0126 0.0074
Loa Loa (eye worm) hypothetical protein 0.0214 0.144 0.144
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0214 0.144 0.1395
Echinococcus multilocularis BC026374 protein (S09 family) 0.0214 0.144 0.1395
Trichomonas vaginalis spcc417.12 protein, putative 0.0214 0.144 1
Loa Loa (eye worm) hypothetical protein 0.0214 0.144 0.144
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0065 0.0229 1
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.4234 0.4204
Leishmania major carnitine/choline acetyltransferase, putative 0.0052 0.0126 0.4145
Echinococcus multilocularis neuroligin 0.0214 0.144 0.1395
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0052 0.0126 0.4145
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0112 0.0425
Trypanosoma cruzi hypothetical protein, conserved 0.0052 0.0126 0.4145
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0052 0.0126 0.4145
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0383 0.0383
Echinococcus multilocularis fk506 binding protein 0.0065 0.0229 0.0177
Echinococcus multilocularis carboxylesterase 5A 0.1268 1 1
Loa Loa (eye worm) carboxylesterase 0.1268 1 1
Schistosoma mansoni neuroligin 3 (S09 family) 0.0214 0.144 0.1395
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0083 0.0216
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0065 0.0229 0.1268
Loa Loa (eye worm) hypothetical protein 0.0214 0.144 0.144
Mycobacterium ulcerans carboxylesterase, LipT 0.0214 0.144 1
Loa Loa (eye worm) carboxylesterase 0.0214 0.144 0.144
Brugia malayi Carboxylesterase family protein 0.0214 0.144 0.1395
Echinococcus multilocularis chromobox protein 1 0.0084 0.0383 0.0332
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0065 0.0229 0.0177
Loa Loa (eye worm) hypothetical protein 0.0056 0.0156 0.0156
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0148 0.0096
Schistosoma mansoni BC026374 protein (S09 family) 0.0214 0.144 0.1395
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0065 0.0229 0.0177
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.0199 0.0148
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0214 0.144 0.7292
Echinococcus granulosus para nitrobenzyl esterase 0.0214 0.144 0.1395
Mycobacterium leprae Probable lipase LipE 0.0043 0.0053 0.5
Loa Loa (eye worm) hypothetical protein 0.1268 1 1
Onchocerca volvulus 0.0052 0.0126 0.0873
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0148 0.0096
Brugia malayi Carboxylesterase family protein 0.1268 1 1
Brugia malayi Choline O-acetyltransferase 0.0351 0.2552 0.2513
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0199 0.1057
Loa Loa (eye worm) hypothetical protein 0.0214 0.144 0.144
Brugia malayi Heterochromatin protein 1 0.0084 0.0383 0.0332
Echinococcus granulosus chromobox protein 1 0.0084 0.0383 0.0332
Loa Loa (eye worm) carboxylesterase 0.0214 0.144 0.144
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0214 0.144 0.1395
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0065 0.0229 0.5
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0065 0.0229 1
Onchocerca volvulus 0.0214 0.144 1
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0065 0.0229 1
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0052 0.0126 0.4145
Onchocerca volvulus 0.0214 0.144 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.0199 0.8333
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0056 0.0156 0.0104
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.0052 0.0126 0.0074
Trypanosoma cruzi hypothetical protein, conserved 0.0052 0.0126 0.4145
Brugia malayi Carboxylesterase family protein 0.0214 0.144 0.1395
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0199 0.8333
Onchocerca volvulus 0.0052 0.0126 0.0873
Loa Loa (eye worm) hypothetical protein 0.0043 0.0053 0.0053
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0214 0.144 0.7292
Brugia malayi hypothetical protein 0.0214 0.144 0.1395
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0065 0.0229 1
Schistosoma mansoni immunophilin 0.0056 0.0156 0.0104
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0148 0.0096
Echinococcus multilocularis para nitrobenzyl esterase 0.0214 0.144 0.1395
Brugia malayi chromobox protein homolog 3 0.0047 0.0083 0.003
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.0199 0.0199
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.0199 1
Trypanosoma brucei protein kinase, putative 0.0062 0.0199 0.8333
Loa Loa (eye worm) hypothetical protein 0.0214 0.144 0.144
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0052 0.0126 0.4145
Schistosoma mansoni chromobox protein 0.0084 0.0383 0.0332
Schistosoma mansoni choline o-acyltransferase 0.0351 0.2552 0.2513
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0065 0.0229 1
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0065 0.0229 1
Trypanosoma cruzi choline/carnitine O-acetyltransferase, putative 0.0052 0.0126 0.4145
Trichomonas vaginalis immunophilin, putative 0.0065 0.0229 0.1268
Onchocerca volvulus 0.0052 0.0126 0.0873
Schistosoma mansoni immunophilin 0.0065 0.0229 0.0177
Onchocerca volvulus 0.0214 0.144 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0065 0.0229 0.0177
Trypanosoma cruzi carnitine O-acetyltransferase, putative 0.0052 0.0126 0.4145
Echinococcus granulosus neuropeptide s receptor 0.0558 0.4234 0.4204
Echinococcus multilocularis choline O acetyltransferase 0.0351 0.2552 0.2513
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0199 0.1057
Mycobacterium tuberculosis Carboxylesterase LipT 0.0214 0.144 0.7292
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0065 0.0229 0.0177
Loa Loa (eye worm) hypothetical protein 0.0043 0.0053 0.0053

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.01 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.5623 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 1.5849 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 6.5131 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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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