Detailed information for compound 90057

Basic information

Technical information
  • TDR Targets ID: 90057
  • Name: N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2 -[2-(2H-tetrazol-5-yl)pyridin-4-yl]pyrimidin- 4-yl]-5-propan-2-ylpyridine-2-sulfonamide
  • MW: 605.625 | Formula: C27H27N9O6S
  • H donors: 3 H acceptors: 10 LogP: 2.41 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: OCCOc1nc(nc(c1Oc1ccccc1OC)NS(=O)(=O)c1ccc(cn1)C(C)C)c1ccnc(c1)c1nn[nH]n1
  • InChi: 1S/C27H27N9O6S/c1-16(2)18-8-9-22(29-15-18)43(38,39)34-26-23(42-21-7-5-4-6-20(21)40-3)27(41-13-12-37)31-24(30-26)17-10-11-28-19(14-17)25-32-35-36-33-25/h4-11,14-16,37H,12-13H2,1-3H3,(H,30,31,34)(H,32,33,35,36)
  • InChiKey: TUYWTLTWNJOZNY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridyl]pyrimidin-4-yl]-5-isopropyl-pyridine-2-sulfonamide
  • N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridyl]-4-pyrimidinyl]-5-isopropyl-2-pyridinesulfonamide
  • N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-[2-(2H-1,2,3,4-tetrazol-5-yl)pyridin-4-yl]pyrimidin-4-yl]-5-propan-2-yl-pyridine-2-sulfonamide
  • tezosentan
  • 180384-57-0
  • N-(6-(2-Hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(2-(1H-tetrazol-5-yl)-4-pyridinyl)-4-pyrimidinyl)-5-(1-methylethyl)-2-pyridinesulfonamide
  • Tezosentan [INN]
  • 2-Pyridinesulfonamide, N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(2-(1H-tetrazol-5-yl)-4-pyridinyl)-4-pyrimidinyl)-5-(1-methylethyl)-

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens endothelin receptor type B Starlite/ChEMBL References

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
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.075 0.9369 1
Brugia malayi beta-lactamase 0.0113 0.1252 0.1336
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0056 0.052 0.052
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0137 0.1558 0.1663
Schistosoma mansoni hypothetical protein 0.017 0.1977 0.1977
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0056 0.052 0.0555
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.075 0.9369 0.9369
Brugia malayi Importin beta-1 subunit 0.0059 0.0563 0.0601
Brugia malayi nuclear hormone receptor 0.0056 0.052 0.0555
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.0183 0.0195
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.3428 0.5777
Echinococcus granulosus neutral amino acid transporter A 0.075 0.9369 0.9369
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0113 0.1252 0.1252
Trichomonas vaginalis esterase, putative 0.0113 0.1252 0.1777
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0038 0.0285 0.2094
Trichomonas vaginalis conserved hypothetical protein 0.0072 0.0727 0.0813
Mycobacterium tuberculosis Conserved protein 0.0113 0.1252 0.1069
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0056 0.052 0.0555
Brugia malayi Excitatory amino acid transporter 0.075 0.9369 1
Echinococcus multilocularis neuropeptide s receptor 0.0453 0.5587 0.5587
Brugia malayi hypothetical protein 0.023 0.2736 0.2921
Schistosoma mansoni nuclear hormone receptor 0.0026 0.0143 0.0143
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.003 0.0183 0.0195
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.028 0.2234
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0565 0.0565
Schistosoma mansoni hypothetical protein 0.0147 0.1682 0.1682
Onchocerca volvulus Excitatory amino acid transporter homolog 0.075 0.9369 1
Schistosoma mansoni nuclear hormone receptor 0.0056 0.052 0.052
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0056 0.052 0.0555
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0057 0.0535 0.0535
Plasmodium falciparum thioredoxin reductase 0.0037 0.028 0.4966
Loa Loa (eye worm) hypothetical protein 0.0026 0.0143 0.0152
Trichomonas vaginalis ran, putative 0.0044 0.0363 0.0143
Brugia malayi nuclear receptor RXR 0.003 0.0183 0.0195
Loa Loa (eye worm) hypothetical protein 0.0056 0.052 0.0555
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.01 0.1083 0.1156
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0072 0.0727 0.0776
Schistosoma mansoni hypothetical protein 0.0068 0.0679 0.0679
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.3428 0.5777
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0634 0.7891 0.8423
Echinococcus granulosus mixed lineage leukemia protein mll 0.0016 0.0011 0.0011
Brugia malayi Steroid receptor seven-up type 2 0.0056 0.052 0.0555
Brugia malayi exodeoxyribonuclease III family protein 0.0038 0.0285 0.0304
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0044 0.0363 0.6448
Trypanosoma brucei trypanothione reductase 0.0037 0.028 0.2234
Echinococcus multilocularis lysine specific demethylase 5A 0.0057 0.0535 0.0535
Loa Loa (eye worm) hypothetical protein 0.023 0.2736 0.2921
Brugia malayi Thioredoxin reductase 0.0037 0.028 0.0298
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0072 0.0727 0.0727
Brugia malayi jmjC domain containing protein 0.0057 0.0535 0.0571
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0085 0.0887 0.0668
Echinococcus multilocularis neutral amino acid transporter A 0.075 0.9369 0.9369
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0056 0.052 0.052
Echinococcus granulosus GTP binding nuclear protein Ran 0.0044 0.0363 0.0363
Loa Loa (eye worm) CXXC zinc finger family protein 0.0056 0.0521 0.0557
Echinococcus multilocularis neutral amino acid transporter A 0.075 0.9369 0.9369
Schistosoma mansoni nuclear receptor nhr-48 0.0026 0.0143 0.0143
Schistosoma mansoni hypothetical protein 0.017 0.1977 0.1977
Loa Loa (eye worm) hypothetical protein 0.0026 0.0143 0.0152
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0137 0.1558 0.1558
Mycobacterium tuberculosis Conserved protein 0.0113 0.1252 0.1069
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0016 0.0011 0.0011
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.0575 0.0575
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0026 0.0143 0.0143
Schistosoma mansoni steroid hormone receptor ad4bp 0.0056 0.052 0.052
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0565 0.0565
Echinococcus granulosus Excitatory amino acid transporter 0.075 0.9369 0.9369
Loa Loa (eye worm) hypothetical protein 0.003 0.0183 0.0195
Echinococcus multilocularis thioredoxin glutathione reductase 0.0038 0.0286 0.0286
Plasmodium vivax SET domain protein, putative 0.006 0.0565 0.4516
Brugia malayi nuclear receptor NHR-88 0.0026 0.0143 0.0152
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.021 0.021
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0284 0.3428 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0026 0.0143 0.0143
Loa Loa (eye worm) hypothetical protein 0.0113 0.1252 0.1336
Loa Loa (eye worm) hypothetical protein 0.0056 0.052 0.0555
Loa Loa (eye worm) hypothetical protein 0.0059 0.0563 0.0601
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0044 0.0363 0.2901
Brugia malayi ecdysteroid receptor 0.0056 0.052 0.0555
Leishmania major GTP-binding protein, putative 0.0044 0.0363 0.2667
Echinococcus multilocularis Excitatory amino acid transporter 0.075 0.9369 0.9369
Onchocerca volvulus 0.0113 0.1252 0.1202
Loa Loa (eye worm) glutathione reductase 0.0037 0.028 0.0298
Loa Loa (eye worm) DR-78 0.0026 0.0143 0.0152
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0044 0.0363 0.2901
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0072 0.0727 0.5343
Schistosoma mansoni coup transcription factor 0.0056 0.052 0.052
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0026 0.0143 0.0143
Echinococcus granulosus cpg binding protein 0.0059 0.0562 0.0562
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0137 0.1558 0.1558
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0403 0.0431
Plasmodium falciparum importin beta, putative 0.0059 0.0563 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0113 0.1252 0.1252
Loa Loa (eye worm) histone methyltransferase 0.002 0.0054 0.0058
Mycobacterium ulcerans hypothetical protein 0.0113 0.1252 0.7493
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0026 0.0143 0.0143
Mycobacterium tuberculosis Probable esterase LipL 0.0113 0.1252 0.1069
Leishmania major hypothetical protein, conserved 0.0024 0.0118 0.0867
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0056 0.052 0.052
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0121 0.1351 0.1351
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0137 0.1558 0.1558
Mycobacterium tuberculosis Probable hydrolase 0.0113 0.1252 0.1069
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.006 0.0565 0.4152
Loa Loa (eye worm) hypothetical protein 0.0026 0.0143 0.0152
Echinococcus multilocularis neutral amino acid transporter A 0.075 0.9369 0.9369
Trichomonas vaginalis D-aminoacylase, putative 0.0113 0.1252 0.1777
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.003 0.0183 0.0183
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0072 0.0727 0.0727
Trypanosoma brucei importin beta-1 subunit, putative 0.0059 0.0563 0.4498
Mycobacterium tuberculosis Probable dehydrogenase 0.0085 0.0887 0.0668
Schistosoma mansoni hypothetical protein 0.0032 0.021 0.021
Brugia malayi nuclear hormone receptor family member odr-7 0.0026 0.0143 0.0152
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0094 0.1007 0.0801
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0139 0.1575 0.1425
Brugia malayi steroid hormone receptor 0.0056 0.052 0.0555
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.075 0.9369 1
Brugia malayi Muscleblind-like protein 0.0161 0.1858 0.1983
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0044 0.0363 0.0363
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.3428 0.5777
Echinococcus granulosus microtubule associated protein 2 0.0693 0.8646 0.8646
Echinococcus multilocularis Excitatory amino acid transporter 0.075 0.9369 0.9369
Brugia malayi photoreceptor-specific nuclear receptor 0.0056 0.052 0.0555
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.021 0.021
Schistosoma mansoni cpg binding protein 0.0059 0.0562 0.0562
Loa Loa (eye worm) hypothetical protein 0.0056 0.052 0.0555
Echinococcus granulosus neutral amino acid transporter 0.075 0.9369 0.9369
Trypanosoma brucei RNA helicase, putative 0.0015 0.0003 0.0021
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0565 0.0565
Brugia malayi beta-lactamase family protein 0.0113 0.1252 0.1336
Schistosoma mansoni ap endonuclease 0.0038 0.0285 0.0285
Schistosoma mansoni microtubule-associated protein tau 0.0693 0.8646 0.8646
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0285 0.5064
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0018 0.0041 0.0041
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0038 0.0285 0.0006
Trichomonas vaginalis set domain proteins, putative 0.0464 0.5725 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0056 0.052 0.052
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0016 0.0011 0.0011
Schistosoma mansoni zinc finger protein 0.0026 0.0143 0.0143
Brugia malayi hypothetical protein 0.0016 0.0007 0.0008
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0048 0.042 0.0248
Brugia malayi glutathione reductase 0.0037 0.028 0.0298
Loa Loa (eye worm) hypothetical protein 0.0026 0.0143 0.0152
Plasmodium falciparum glutathione reductase 0.0037 0.028 0.4966
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0056 0.052 0.0555
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0044 0.0363 0.2667
Loa Loa (eye worm) hypothetical protein 0.0026 0.0143 0.0152
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.075 0.9369 0.9369
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0056 0.052 0.0555
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0026 0.0143 0.0152
Echinococcus granulosus survival motor neuron protein 1 0.023 0.2736 0.2736
Echinococcus multilocularis GPCR, family 2 0.0032 0.021 0.021
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0044 0.0363 0.0388
Brugia malayi beta-lactamase family protein 0.0113 0.1252 0.1336
Echinococcus multilocularis nuclear receptor nhr 48 0.0026 0.0143 0.0143
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0137 0.1558 0.1663
Loa Loa (eye worm) hypothetical protein 0.0026 0.0143 0.0152
Schistosoma mansoni ran 0.0044 0.0363 0.0363
Loa Loa (eye worm) hypothetical protein 0.0068 0.0679 0.0724
Echinococcus multilocularis excitatory amino acid transporter 3 0.075 0.9369 0.9369
Trichomonas vaginalis D-aminoacylase, putative 0.0113 0.1252 0.1777
Onchocerca volvulus 0.0113 0.1252 0.1202
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0094 0.1007 0.1753
Mycobacterium ulcerans aldehyde dehydrogenase 0.0122 0.1361 0.8343
Loa Loa (eye worm) hypothetical protein 0.0056 0.052 0.0555
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.021 0.0224
Schistosoma mansoni hypothetical protein 0.0047 0.0403 0.0403
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0056 0.052 0.0555
Trichomonas vaginalis penicillin-binding protein, putative 0.0113 0.1252 0.1777
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0085 0.0887 0.0668
Loa Loa (eye worm) beta-lactamase 0.0113 0.1252 0.1336
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0056 0.052 0.052
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.028 0.0298
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0026 0.0143 0.0143
Schistosoma mansoni hypothetical protein 0.0799 1 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0038 0.0285 0.2278
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0137 0.1558 0.1558
Schistosoma mansoni nuclear receptor 0.0026 0.0143 0.0143
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0139 0.1575 1
Echinococcus granulosus geminin 0.017 0.1977 0.1977
Brugia malayi RNA, U transporter 1 0.0169 0.1959 0.2091
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0056 0.052 0.0555
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0056 0.052 0.0555
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0038 0.0285 0.2278
Loa Loa (eye worm) excitatory amino acid transporter 0.075 0.9369 1
Brugia malayi conserved hypotetical protein 0.0026 0.0143 0.0152
Loa Loa (eye worm) hypothetical protein 0.0026 0.0143 0.0152
Plasmodium vivax hypothetical protein, conserved 0.0113 0.1252 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0038 0.0285 0.0285
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0332 0.4045 0.4045
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0724 0.9044 0.9643
Schistosoma mansoni RAR-like nuclear receptor 0.0056 0.052 0.052
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.006 0.0565 0.0565
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0139 0.1575 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0183 0.0195
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.0183 0.0195
Loa Loa (eye worm) hypothetical protein 0.0056 0.052 0.0555
Brugia malayi Nuclear hormone receptor E75 0.0026 0.0143 0.0152
Echinococcus multilocularis excitatory amino acid transporter 2 0.075 0.9369 0.9369
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.006 0.0565 0.0565
Echinococcus multilocularis FTZ F1 alpha 0.0056 0.052 0.052
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0056 0.052 0.0409
Echinococcus granulosus histone lysine methyltransferase setb 0.006 0.0565 0.0565
Loa Loa (eye worm) hypothetical protein 0.0113 0.1252 0.1336
Onchocerca volvulus 0.006 0.0565 0.0458
Echinococcus multilocularis beta LACTamase domain containing family member 0.0113 0.1252 0.1252
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0332 0.4045 0.4045
Schistosoma mansoni hypothetical protein 0.0032 0.021 0.021
Echinococcus multilocularis geminin 0.017 0.1977 0.1977
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0575 0.0614
Schistosoma mansoni ap endonuclease 0.0038 0.0285 0.0285
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0332 0.4045 0.4045
Toxoplasma gondii histone lysine methyltransferase SET1 0.0108 0.1189 0.8735
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.3428 0.5777
Schistosoma mansoni retinoid-x-receptor (RXR) 0.003 0.0183 0.0183
Echinococcus granulosus Excitatory amino acid transporter 0.075 0.9369 0.9369
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0118 0.2096
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0122 0.1361 0.1361
Brugia malayi jmjC domain containing protein 0.006 0.0575 0.0614
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0072 0.0727 0.0727
Brugia malayi Nuclear hormone receptor-like 1 0.0056 0.052 0.0555
Leishmania major importin beta-1 subunit, putative 0.0048 0.042 0.3084
Echinococcus granulosus excitatory amino acid transporter 2 0.075 0.9369 0.9369
Brugia malayi hypothetical protein 0.0024 0.0118 0.0126
Echinococcus granulosus excitatory amino acid transporter 3 0.075 0.9369 0.9369
Loa Loa (eye worm) hypothetical protein 0.01 0.1083 0.1156
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0056 0.052 0.052
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0072 0.0727 0.5811
Echinococcus multilocularis muscleblind protein 1 0.0161 0.1858 0.1858
Schistosoma mansoni jumonji domain containing protein 0.0057 0.0535 0.0535
Chlamydia trachomatis glutamate symporter 0.075 0.9369 1
Schistosoma mansoni aldehyde dehydrogenase 0.0122 0.1361 0.1361
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0056 0.052 0.0555
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.3428 0.5777
Echinococcus granulosus thioredoxin glutathione reductase 0.0038 0.0286 0.0286
Treponema pallidum fructose-bisphosphate aldolase 0.0284 0.3428 0.836
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0285 0.2278
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.021 0.021
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0026 0.0143 0.0143
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.003 0.0183 0.0183
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0118 0.0943
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0072 0.0727 0.5811
Echinococcus multilocularis cpg binding protein 0.0059 0.0562 0.0562
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0122 0.1361 0.119
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0072 0.0727 0.5811
Brugia malayi CXXC zinc finger family protein 0.0056 0.0521 0.0557
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0056 0.052 0.0555
Mycobacterium ulcerans esterase/lipase LipP 0.0113 0.1252 0.7493
Loa Loa (eye worm) hypothetical protein 0.003 0.0183 0.0195
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0044 0.0363 0.0388
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0113 0.1252 0.1336
Schistosoma mansoni nuclear hormone receptor 0.0026 0.0143 0.0143
Mycobacterium leprae conserved hypothetical protein 0.0113 0.1252 0.5301
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0072 0.0727 0.0813
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0056 0.052 0.0555
Echinococcus granulosus neuropeptide receptor A26 0.0453 0.5587 0.5587
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0072 0.0727 0.0813
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0056 0.052 0.0555
Onchocerca volvulus 0.0056 0.0521 0.041
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0118 0.2096
Echinococcus multilocularis muscleblind protein 0.0161 0.1858 0.1858
Brugia malayi Pre-SET motif family protein 0.006 0.0565 0.0603
Brugia malayi nuclear hormone receptor family member nhr-6 0.0026 0.0143 0.0152
Schistosoma mansoni hypothetical protein 0.0032 0.021 0.021
Echinococcus granulosus GPCR family 2 0.0032 0.021 0.021
Brugia malayi Calcitonin receptor-like protein seb-1 0.01 0.1083 0.1156
Brugia malayi Pre-SET motif family protein 0.0408 0.5008 0.5346
Schistosoma mansoni survival motor neuron protein 0.0047 0.0403 0.0403
Mycobacterium tuberculosis Probable lipase LipE 0.0113 0.1252 0.1069
Echinococcus granulosus ubiquitin specific protease 41 0.0072 0.0727 0.0727
Schistosoma mansoni nuclear receptor 0.0026 0.0143 0.0143
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0056 0.0522 0.0522
Loa Loa (eye worm) hypothetical protein 0.0026 0.0143 0.0152
Trypanosoma brucei hypothetical protein, conserved 0.0113 0.1252 1
Toxoplasma gondii exonuclease III APE 0.0038 0.0285 0.2094
Echinococcus multilocularis excitatory amino acid transporter 2 0.075 0.9369 0.9369
Schistosoma mansoni cpg binding protein 0.0056 0.0521 0.0521
Brugia malayi nuclear receptor RXR 0.0026 0.0143 0.0152
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.006 0.0565 0.0565
Plasmodium vivax glutathione reductase, putative 0.0037 0.028 0.2234
Echinococcus granulosus neutral amino acid transporter A 0.075 0.9369 0.9369
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0113 0.1252 0.1252
Trichomonas vaginalis D-aminoacylase, putative 0.0113 0.1252 0.1777
Echinococcus multilocularis survival motor neuron protein 1 0.023 0.2736 0.2736
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.021 0.021
Brugia malayi hypothetical protein 0.003 0.0183 0.0195
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.3428 0.5777
Mycobacterium ulcerans beta-lactamase 0.0113 0.1252 0.7493
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0056 0.052 0.0555
Loa Loa (eye worm) hypothetical protein 0.0026 0.0143 0.0152
Mycobacterium leprae Probable lipase LipE 0.0113 0.1252 0.5301
Loa Loa (eye worm) hypothetical protein 0.0026 0.0143 0.0152
Brugia malayi hypothetical protein 0.003 0.0183 0.0195
Schistosoma mansoni importin beta-1 0.0059 0.0563 0.0563
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0284 0.3428 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0122 0.1361 0.8343
Loa Loa (eye worm) hypothetical protein 0.0113 0.1252 0.1336
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0113 0.1252 0.1069
Loa Loa (eye worm) nuclear hormone receptor 0.0026 0.0143 0.0152
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0137 0.1558 0.1558
Schistosoma mansoni ran 0.0044 0.0363 0.0363
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0026 0.0143 0.0143
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0137 0.1558 0.1558
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0147 0.1682 0.1682
Schistosoma mansoni retinoic acid receptor RXR 0.0056 0.052 0.052
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0072 0.0727 0.0727
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.0575 0.0575
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0056 0.052 0.0555
Schistosoma mansoni cpg binding protein 0.0059 0.0562 0.0562
Echinococcus granulosus neuropeptide s receptor 0.0453 0.5587 0.5587
Loa Loa (eye worm) hypothetical protein 0.0161 0.1858 0.1983
Loa Loa (eye worm) hypothetical protein 0.0026 0.0143 0.0152
Onchocerca volvulus Protein ultraspiracle homolog 0.0056 0.052 0.0409
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0056 0.052 0.0555
Schistosoma mansoni hypothetical protein 0.0634 0.7891 0.7891
Echinococcus granulosus excitatory amino acid transporter 2 0.075 0.9369 0.9369
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0044 0.0363 0.2901
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0044 0.0363 0.0248
Trichomonas vaginalis penicillin-binding protein, putative 0.0113 0.1252 0.1777
Echinococcus multilocularis ecdysone induced protein 78C 0.0056 0.052 0.052
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0056 0.052 0.052
Entamoeba histolytica Ran family GTPase 0.0044 0.0363 0.0248
Leishmania major trypanothione reductase 0.0037 0.028 0.2054
Echinococcus granulosus thyroid hormone receptor alpha 0.0026 0.0143 0.0143
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0332 0.4045 0.4045
Echinococcus granulosus FTZ F1 alpha 0.0056 0.052 0.052
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.3428 0.5777
Echinococcus multilocularis microtubule associated protein 2 0.0693 0.8646 0.8646
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0147 0.1682 0.1682
Trypanosoma cruzi hypothetical protein, conserved 0.0113 0.1252 1
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0044 0.0363 0.2901
Giardia lamblia Fructose-bisphosphate aldolase 0.0284 0.3428 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0056 0.052 0.0555
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0056 0.052 0.052
Toxoplasma gondii aldehyde dehydrogenase 0.0122 0.1361 1
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0072 0.0727 0.1407
Loa Loa (eye worm) hypothetical protein 0.0113 0.1252 0.1336
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0118 0.0867
Echinococcus granulosus lysine specific demethylase 5A 0.006 0.0575 0.0575
Treponema pallidum glutamate/aspartate transporter 0.0332 0.4045 1
Brugia malayi hypothetical protein 0.0026 0.0143 0.0152
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0113 0.1252 0.1069
Brugia malayi ecdysone receptor 0.0026 0.0143 0.0152
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0056 0.052 0.0555
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0056 0.052 0.052
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0056 0.052 0.0555
Brugia malayi nuclear hormone receptor 0.0026 0.0143 0.0152
Loa Loa (eye worm) steroid hormone receptor 0.0056 0.052 0.0555
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0056 0.052 0.0555
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0056 0.052 0.052
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0137 0.1558 0.1558
Brugia malayi hypothetical protein 0.0026 0.0143 0.0152
Loa Loa (eye worm) hypothetical protein 0.0113 0.1252 0.1336
Echinococcus granulosus nuclear receptor nhr 48 0.0026 0.0143 0.0143
Schistosoma mansoni hypothetical protein 0.0015 0.0003 0.0003
Mycobacterium ulcerans lipase LipD 0.0113 0.1252 0.7493
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0072 0.0727 0.0727
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0118 0.0943
Echinococcus multilocularis importin subunit beta 1 0.0059 0.0563 0.0563
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.028 0.2234
Loa Loa (eye worm) hypothetical protein 0.006 0.0565 0.0603
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0056 0.052 0.052
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.002 0.0054 0.0054
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0048 0.042 0.0248
Mycobacterium tuberculosis Probable reductase 0.0085 0.0887 0.0668
Loa Loa (eye worm) hypothetical protein 0.0113 0.1252 0.1336
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0408 0.5008 0.5346
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0056 0.052 0.052
Schistosoma mansoni aldehyde dehydrogenase 0.0122 0.1361 0.1361
Onchocerca volvulus 0.0056 0.052 0.0409
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0056 0.052 0.052
Echinococcus multilocularis snurportin 1 0.0634 0.7891 0.7891
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0085 0.0887 0.0668
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0026 0.0143 0.0143
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0038 0.0285 0.0304
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.021 0.0224
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0016 0.0011 0.0011
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0056 0.052 0.052
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0038 0.0285 0.0285
Echinococcus multilocularis sodium:dicarboxylate symporter 0.075 0.9369 0.9369
Brugia malayi Latrophilin receptor protein 2 0.0032 0.021 0.0224
Schistosoma mansoni hypothetical protein 0.0032 0.021 0.021
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0094 0.1007 0.0801
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0788 0.9856 0.9856
Mycobacterium ulcerans aldehyde dehydrogenase 0.0122 0.1361 0.8343
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.3428 0.5777
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0057 0.0535 0.0535
Brugia malayi nuclear receptor NHR-67 0.0026 0.0143 0.0152
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0018 0.0041 0.0041
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0113 0.1252 0.7493
Schistosoma mansoni thyroid hormone receptor 0.0203 0.2396 0.2396
Plasmodium vivax importin-beta 2, putative 0.0059 0.0563 0.4498
Brugia malayi F/Y-rich N-terminus family protein 0.0019 0.0052 0.0055
Onchocerca volvulus 0.0113 0.1252 0.1202
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0056 0.052 0.052
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0085 0.0887 0.0668
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0679 0.0724
Loa Loa (eye worm) hypothetical protein 0.0026 0.0143 0.0152
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.003 0.0183 0.0183
Loa Loa (eye worm) hypothetical protein 0.0032 0.021 0.0224
Echinococcus multilocularis ubiquitin specific protease 41 0.0072 0.0727 0.0727
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0122 0.1361 1
Schistosoma mansoni thyroid hormone receptor 0.0203 0.2396 0.2396
Toxoplasma gondii HEAT repeat-containing protein 0.0059 0.0563 0.4136
Echinococcus granulosus Nuclear hormone receptor HR96 0.0026 0.0143 0.0143
Echinococcus multilocularis neuropeptide receptor A26 0.0453 0.5587 0.5587
Onchocerca volvulus 0.0464 0.5725 0.605
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0026 0.0143 0.0152
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0113 0.1252 0.1336
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0072 0.0727 0.0727
Onchocerca volvulus Bile acid receptor homolog 0.0056 0.052 0.0409
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0118 0.0943
Trichomonas vaginalis importin beta-1, putative 0.0048 0.042 0.0248
Loa Loa (eye worm) hypothetical protein 0.003 0.0183 0.0195
Brugia malayi Nuclear hormone receptor E75 0.0026 0.0143 0.0152
Loa Loa (eye worm) hypothetical protein 0.0161 0.1858 0.1983
Loa Loa (eye worm) hypothetical protein 0.003 0.0183 0.0195
Loa Loa (eye worm) nuclear receptor NHR-67 0.0026 0.0143 0.0152
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.002 0.0054 0.0054
Loa Loa (eye worm) hypothetical protein 0.0026 0.0143 0.0152
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0056 0.052 0.052
Echinococcus granulosus importin subunit beta 1 0.0059 0.0563 0.0563
Treponema pallidum glutamate transporter 0.0332 0.4045 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.052 0.0555
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0038 0.0285 0.2278
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0122 0.1361 0.1361
Toxoplasma gondii ABC1 family protein 0.0113 0.1252 0.9195
Echinococcus granulosus muscleblind protein 0.0161 0.1858 0.1858
Loa Loa (eye worm) hypothetical protein 0.0056 0.052 0.0555
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0016 0.0011 0.0011
Brugia malayi tailless protein 0.0026 0.0143 0.0152
Echinococcus multilocularis thyroid hormone receptor alpha 0.0203 0.2396 0.2396
Onchocerca volvulus 0.0047 0.0403 0.0283
Echinococcus multilocularis dnaJ subfamily B 0.0799 1 1
Echinococcus granulosus snurportin 1 0.0634 0.7891 0.7891
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0056 0.052 0.052
Loa Loa (eye worm) hypothetical protein 0.0024 0.0118 0.0126
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0056 0.052 0.052
Loa Loa (eye worm) hypothetical protein 0.0072 0.0727 0.0776
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0026 0.0143 0.0143
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0118 0.0943
Entamoeba histolytica hypothetical protein 0.0048 0.042 0.0429
Loa Loa (eye worm) hypothetical protein 0.0056 0.052 0.0555
Brugia malayi orphan nuclear receptor NR2E1 0.0026 0.0143 0.0152
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0026 0.0143 0.0143
Trypanosoma brucei importin beta-1 subunit, putative 0.0059 0.0563 0.4498
Mycobacterium tuberculosis Probable oxidoreductase 0.0094 0.1007 0.0801
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0056 0.052 0.0555
Echinococcus granulosus ecdysone induced protein 78C 0.0056 0.052 0.052
Trypanosoma cruzi importin beta-1 subunit, putative 0.0048 0.042 0.3354
Mycobacterium tuberculosis Conserved protein 0.0113 0.1252 0.1069
Toxoplasma gondii thioredoxin reductase 0.0037 0.028 0.2054
Loa Loa (eye worm) pigment dispersing factor receptor c 0.01 0.1083 0.1156
Trypanosoma cruzi hypothetical protein, conserved 0.0113 0.1252 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0113 0.1252 0.1069
Leishmania major hypothetical protein, conserved 0.0113 0.1252 0.9195
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0072 0.0727 0.1407
Brugia malayi nuclear receptor NHR-88 0.0056 0.052 0.0555
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0056 0.052 0.052
Echinococcus granulosus sodium:dicarboxylate symporter 0.075 0.9369 0.9369
Mycobacterium tuberculosis Probable lipase LipD 0.0113 0.1252 0.1069

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) = 0 % Compound was evaluated for oral bioavailability in rats after iv administration ChEMBL. 15055997
IC50 (binding) = 23 nM Inhibitory concentration towards endothelin A receptor in rat. ChEMBL. 15055997
IC50 (binding) = 23 nM Inhibitory concentration towards endothelin A receptor in rat. ChEMBL. 15055997
Selectivity (binding) = 56 Selectivity for endothelin A receptor over endothelin receptor B ChEMBL. 15055997
Selectivity (binding) = 56 Selectivity for endothelin A receptor over endothelin receptor B ChEMBL. 15055997
T1/2 (ADMET) = 0.13 hr Half life period of the compound was evaluated in rat ChEMBL. 15055997

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

1 literature reference was collected for this gene.

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