Detailed information for compound 1443518

Basic information

Technical information
  • TDR Targets ID: 1443518
  • Name: N-butan-2-yl-4-[(phenylsulfonylamino)methyl]c yclohexane-1-carboxamide
  • MW: 352.492 | Formula: C18H28N2O3S
  • H donors: 2 H acceptors: 3 LogP: 2.96 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(NC(=O)C1CCC(CC1)CNS(=O)(=O)c1ccccc1)C
  • InChi: 1S/C18H28N2O3S/c1-3-14(2)20-18(21)16-11-9-15(10-12-16)13-19-24(22,23)17-7-5-4-6-8-17/h4-8,14-16,19H,3,9-13H2,1-2H3,(H,20,21)
  • InChiKey: BPMXOPGIUMLBAM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[(phenylsulfonylamino)methyl]-N-sec-butyl-cyclohexane-1-carboxamide
  • 4-[(phenylsulfonylamino)methyl]-N-sec-butyl-1-cyclohexanecarboxamide
  • ChemDiv3_013500

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens Rap guanine nucleotide exchange factor (GEF) 3 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131726 All targets in OG5_131726
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
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
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
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 guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog Get druggable targets OG5_131726 All targets in OG5_131726
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi N-terminal motif family protein Get druggable targets OG5_131726 All targets in OG5_131726
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis PIKK family atypical protein kinase 0.0908 0.3349 0.3349
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0958 0.3543 0.3543
Leishmania major peptidylprolyl isomerase-like protein 0.011 0.0257 0.0257
Entamoeba histolytica hypothetical protein 0.0514 0.1825 0.161
Schistosoma mansoni immunophilin 0.0095 0.0198 0.0198
Echinococcus multilocularis 0.0179 0.0526 0.0526
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0268 0.0869 0.0628
Leishmania major phosphatidylinositol kinase, putative 0.0179 0.0526 0.0526
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.011 0.0256 0.0256
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.011 0.0257 0.0257
Loa Loa (eye worm) hypothetical protein 0.0573 0.205 0.205
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0046 0.0046
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0179 0.0526 0.0526
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0434 0.1515 0.1515
Entamoeba histolytica protein kinase rad3, putative 0.0514 0.1825 0.161
Schistosoma mansoni immunophilin 0.011 0.0257 0.0257
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.2624 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0514 0.1825 0.1825
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0958 0.3543 0.3543
Leishmania major phosphatidylinositol kinase related protein, putative 0.0179 0.0526 0.0526
Trichomonas vaginalis PIKK family atypical protein kinase 0.1436 0.5397 0.5397
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0369 0.126 0.126
Trichomonas vaginalis PIKK family atypical protein kinase 0.0514 0.1825 0.1825
Trichomonas vaginalis PIKK family atypical protein kinase 0.2624 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1962 0.7436 0.7436
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.011 0.0257 0.0257
Giardia lamblia Phosphatidylinositol 4-kinase 0.0179 0.0526 0.0276
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0179 0.0526 0.0526
Plasmodium vivax hypothetical protein, conserved 0.0179 0.0526 0.8737
Trichomonas vaginalis fk506-binding protein, putative 0.011 0.0257 0.0257
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0046 0.0046
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0095 0.0198 0.0198
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0369 0.126 0.103
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0239 0.0757 0.0757
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0199 0.0602 0.0602
Brugia malayi FAT domain containing protein 0.0393 0.1356 0.1356
Loa Loa (eye worm) phosphatidylinositol 3 0.0501 0.1772 0.1772
Trichomonas vaginalis PIKK family atypical protein kinase 0.1569 0.5913 0.5913
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0335 0.113 0.113
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0179 0.0526 0.0526
Trichomonas vaginalis PIKK family atypical protein kinase 0.1569 0.5912 0.5912
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.011 0.0257 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0239 0.0757 0.0757
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.011 0.0257 0.0257
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0329 0.1106 0.0871
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0369 0.126 0.126
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0179 0.0526 0.0526
Trichomonas vaginalis PIKK family atypical protein kinase 0.1434 0.5388 0.5388
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0199 0.0602 0.0602
Loa Loa (eye worm) phosphatidylinositol 3 0.0179 0.0526 0.0526
Loa Loa (eye worm) hypothetical protein 0.0335 0.113 0.113
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0219 0.0681 0.0435
Loa Loa (eye worm) phosphatidylinositol 3 0.0918 0.3391 0.3391
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.2624 1 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0199 0.0602 0.081
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0199 0.0602 0.081
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0199 0.0602 0.0602
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0179 0.0526 0.8737
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.011 0.0257 0.0257
Trichomonas vaginalis PIKK family atypical protein kinase 0.223 0.8476 0.8476
Entamoeba histolytica hypothetical protein 0.0179 0.0526 0.0276
Trichomonas vaginalis PIKK family atypical protein kinase 0.2095 0.7953 0.7953
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0199 0.0602 0.0602
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0514 0.1825 0.1825
Loa Loa (eye worm) hypothetical protein 0.0526 0.1871 0.1871
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0393 0.1356 0.1356
Trichomonas vaginalis PIKK family atypical protein kinase 0.1436 0.5397 0.5397
Trichomonas vaginalis PIKK family atypical protein kinase 0.1962 0.7436 0.7436
Schistosoma mansoni hypothetical protein 0.0393 0.1356 0.1356
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0369 0.126 0.126
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.054 0.1926 0.1926
Loa Loa (eye worm) hypothetical protein 0.0097 0.0209 0.0209
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0308 0.1023 0.1023
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0179 0.0526 0.0526
Trichomonas vaginalis PIKK family atypical protein kinase 0.1569 0.5912 0.5912
Trichomonas vaginalis PIKK family atypical protein kinase 0.0705 0.2566 0.2566
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.011 0.0257 0.0257
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0239 0.0757 0.0513
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0525 0.1867 0.1652
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0239 0.0757 0.0757
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0199 0.0602 0.0355
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.2624 1 1
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.1101 0.4098 0.4098
Trichomonas vaginalis PIKK family atypical protein kinase 0.0179 0.0526 0.0526
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0046 0.0046
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0199 0.0602 0.0602
Trichomonas vaginalis PIKK family atypical protein kinase 0.0908 0.3349 0.3349
Loa Loa (eye worm) phosphatidylinositol 3 0.0179 0.0526 0.0526
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.011 0.0257 0.0257
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0393 0.1356 0.1356
Loa Loa (eye worm) hypothetical protein 0.0233 0.0734 0.0734
Loa Loa (eye worm) phosphatidylinositol 3 0.2624 1 1
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.011 0.0257 0.4266
Leishmania major phosphatidylinositol 3-kinase, putative 0.0908 0.3349 0.3349
Schistosoma mansoni voltage-gated potassium channel 0.0127 0.0325 0.0325
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0199 0.0602 0.0602
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0369 0.126 0.126
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0179 0.0526 0.0526
Plasmodium vivax hypothetical protein 0.0179 0.0526 0.8737
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0117 0.0285 0.0285
Mycobacterium leprae conserved hypothetical protein 0.0179 0.0526 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.2624 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0393 0.1356 0.1356
Trichomonas vaginalis PIKK family atypical protein kinase 0.0908 0.3349 0.3349
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0179 0.0526 0.0526
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0179 0.0526 0.0526
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0179 0.0526 0.8737
Echinococcus multilocularis serine protein kinase ATM 0.0514 0.1825 0.1825
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.03 0.0994 0.0994
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0199 0.0602 0.0602
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.026 0.0839 0.0598
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0059 0.0062 0.0062
Loa Loa (eye worm) hypothetical protein 0.0179 0.0526 0.0526
Trichomonas vaginalis PIKK family atypical protein kinase 0.2624 1 1
Giardia lamblia GTOR 0.2624 1 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0117 0.0285 0.0285
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0179 0.0526 0.0526
Trypanosoma cruzi target of rapamycin kinase 3 0.2097 0.7961 0.7961
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.011 0.0257 0.0257
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0514 0.1825 0.1825
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0046 0.0046
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0046 0.0046
Trichomonas vaginalis PIKK family atypical protein kinase 0.1962 0.7436 0.7436
Entamoeba histolytica hypothetical protein 0.0179 0.0526 0.0276
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0958 0.3543 0.3543
Brugia malayi N-terminal motif family protein 0.0233 0.0734 0.0734
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0514 0.1825 0.1825
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0233 0.0734 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.2624 1 1
Loa Loa (eye worm) phosphatidylinositol kinase 0.0179 0.0526 0.0526
Trichomonas vaginalis PIKK family atypical protein kinase 0.1434 0.5388 0.5388
Onchocerca volvulus 0.0179 0.0526 0.7173
Trichomonas vaginalis PIKK family atypical protein kinase 0.1569 0.5912 0.5912
Trichomonas vaginalis immunophilin, putative 0.011 0.0257 0.0257
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.011 0.0257 0.0257
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.2097 0.7961 0.7961
Trichomonas vaginalis PIKK family atypical protein kinase 0.0525 0.1867 0.1867
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0179 0.0526 0.0526
Loa Loa (eye worm) hypothetical protein 0.0393 0.1356 0.1356
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0958 0.3543 0.3543
Trichomonas vaginalis PIKK family atypical protein kinase 0.1569 0.5913 0.5913
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0179 0.0526 0.0526
Trichomonas vaginalis PIKK family atypical protein kinase 0.2624 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0239 0.0757 0.0757
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0239 0.0757 0.0757
Loa Loa (eye worm) hypothetical protein 0.03 0.0994 0.0994
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.2624 1 1
Giardia lamblia Hypothetical protein 0.0179 0.0526 0.0276
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.011 0.0257 0.0257
Loa Loa (eye worm) FKBP5 protein 0.011 0.0257 0.0257
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0958 0.3543 0.3543
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.0908 1
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0199 0.0602 0.0602
Loa Loa (eye worm) phosphatidylinositol 3 0.0059 0.0062 0.0062
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0958 0.3543 0.3543
Trichomonas vaginalis PIKK family atypical protein kinase 0.2095 0.7953 0.7953
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0199 0.0602 0.0602
Trichomonas vaginalis PIKK family atypical protein kinase 0.0908 0.3349 0.3349
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0179 0.0526 0.0276
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0046 0.0046
Entamoeba histolytica hypothetical protein 0.0329 0.1106 0.0871
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.011 0.0257 0.0257
Echinococcus multilocularis Zinc finger, PHD finger 0.0199 0.0602 0.0602
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0179 0.0526 0.0526
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0514 0.1825 0.1825
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0179 0.0526 0.0526
Trichomonas vaginalis PIKK family atypical protein kinase 0.2095 0.7953 0.7953
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0514 0.1825 0.1825
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0046 0.0046
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0199 0.0602 0.0602
Trypanosoma brucei target of rapamycin kinase 3, putative 0.2097 0.7961 0.7961
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0179 0.0526 0.7797
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0172 0.0498 0.0498
Trichomonas vaginalis PIKK family atypical protein kinase 0.2095 0.7953 0.7953
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0199 0.0602 0.0602
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.1234 0.4613 0.4613
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.03 0.0994 0.0994
Loa Loa (eye worm) hypothetical protein 0.0069 0.0098 0.0098
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.011 0.0256 0.0256
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0179 0.0526 0.0526
Schistosoma mansoni fkbp-rapamycin associated protein 0.0514 0.1825 0.1825
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0918 0.3391 0.3391
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0239 0.0757 0.0513
Trichomonas vaginalis PIKK family atypical protein kinase 0.1436 0.5397 0.5397
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0514 0.1825 0.1825
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0199 0.0602 0.0602
Trichomonas vaginalis PIKK family atypical protein kinase 0.0179 0.0526 0.0526
Loa Loa (eye worm) phosphatidylinositol 3 0.0179 0.0526 0.0526
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.2624 1 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0239 0.0757 0.0757
Leishmania major phosphatidylinositol 3-kinase, putative 0.0199 0.0602 0.0602
Trichomonas vaginalis PIKK family atypical protein kinase 0.1702 0.6429 0.6429
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0179 0.0526 0.0526
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0199 0.0602 1
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.011 0.0257 0.5
Leishmania major phosphatidylinositol 4-kinase, putative 0.0179 0.0526 0.0526
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0908 0.3349 0.3349
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0179 0.0526 0.0526
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0199 0.0602 0.0602
Trypanosoma cruzi hypothetical protein, conserved 0.009 0.0182 0.0182
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.2624 1 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.011 0.0257 0.0257
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0239 0.0757 0.0757
Trichomonas vaginalis PIKK family atypical protein kinase 0.0918 0.3391 0.3391
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.2624 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0189 0.0565 0.0316
Loa Loa (eye worm) hypothetical protein 0.0095 0.0198 0.0198
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0308 0.1023 0.1023
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.011 0.0257 0.0257
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0434 0.1515 0.1515
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.054 0.1926 0.1926
Leishmania major fk506-binding protein 1-like protein 0.011 0.0257 0.0257
Mycobacterium tuberculosis Conserved hypothetical protein 0.0179 0.0526 0.5796
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.011 0.0257 0.0257
Trichomonas vaginalis PIKK family atypical protein kinase 0.1962 0.7436 0.7436
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0514 0.1825 0.1825
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0199 0.0602 0.0602
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0369 0.126 0.126
Loa Loa (eye worm) hypothetical protein 0.0514 0.1825 0.1825
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.011 0.0257 0.0257
Leishmania major hypothetical protein, conserved 0.027 0.0877 0.0877
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0117 0.0285 0.0285
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.03 0.0994 0.0994
Schistosoma mansoni hypothetical protein 0.0179 0.0526 0.0526
Trichomonas vaginalis PIKK family atypical protein kinase 0.1434 0.5388 0.5388
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0179 0.0526 0.0526
Trichomonas vaginalis PIKK family atypical protein kinase 0.2095 0.7953 0.7953
Trichomonas vaginalis PIKK family atypical protein kinase 0.1436 0.5397 0.5397
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0117 0.0285 0.0285
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0179 0.0526 0.0708
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0918 0.3391 0.3391
Echinococcus granulosus serine protein kinase ATM 0.0514 0.1825 0.1825
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.011 0.0257 0.0257
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.2624 1 1
Toxoplasma gondii FATC domain-containing protein 0.0514 0.1825 0.2455
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0179 0.0526 0.0708
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0573 0.205 0.2757
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.054 0.1926 0.1926
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0179 0.0526 0.0526
Trichomonas vaginalis PIKK family atypical protein kinase 0.0335 0.113 0.113
Loa Loa (eye worm) phosphatidylinositol 3 0.0179 0.0526 0.0526
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0514 0.1825 0.1825
Schistosoma mansoni voltage-gated potassium channel 0.0127 0.0325 0.0325
Trichomonas vaginalis PIKK family atypical protein kinase 0.176 0.6654 0.6654
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0179 0.0526 0.7797
Trichomonas vaginalis PIKK family atypical protein kinase 0.1962 0.7436 0.7436
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0179 0.0526 0.8737
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0179 0.0526 0.0708
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0199 0.0602 1
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0199 0.0602 0.0355
Trichomonas vaginalis PIKK family atypical protein kinase 0.1962 0.7436 0.7436
Onchocerca volvulus 0.0179 0.0526 0.7173
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0046 0.0046
Entamoeba histolytica hypothetical protein 0.0179 0.0526 0.0276
Trichomonas vaginalis PIKK family atypical protein kinase 0.1962 0.7436 0.7436
Toxoplasma gondii target of rapamycin (TOR), putative 0.1962 0.7436 1
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0179 0.0526 0.0526
Echinococcus multilocularis fk506 binding protein 0.011 0.0257 0.0257
Trichomonas vaginalis conserved hypothetical protein 0.0573 0.205 0.205
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.2624 1 1
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0095 0.0198 0.0198
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0046 0.0046
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0369 0.126 0.126
Leishmania major hypothetical protein, unknown function 0.0179 0.0526 0.0526
Schistosoma mansoni immunophilin 0.011 0.0257 0.0257
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0179 0.0526 0.0526
Trichomonas vaginalis conserved hypothetical protein 0.0335 0.113 0.113

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.3778 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 4.4668 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) 11.2202 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) 15.8489 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.