Detailed information for compound 1434591

Basic information

Technical information
  • TDR Targets ID: 1434591
  • Name: 4-amino-N'-(2-fluorophenyl)-N'-[1-(4-hydroxyp henyl)-2-oxo-2-(phenylmethylamino)ethyl]-1,2- thiazole-3,5-dicarboxamide
  • MW: 519.547 | Formula: C26H22FN5O4S
  • H donors: 4 H acceptors: 5 LogP: 3.7 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(C(N(C(=O)c1snc(c1N)C(=O)N)c1ccccc1F)c1ccc(cc1)O)NCc1ccccc1
  • InChi: 1S/C26H22FN5O4S/c27-18-8-4-5-9-19(18)32(26(36)23-20(28)21(24(29)34)31-37-23)22(16-10-12-17(33)13-11-16)25(35)30-14-15-6-2-1-3-7-15/h1-13,22,33H,14,28H2,(H2,29,34)(H,30,35)
  • InChiKey: TTZYPKFZURWDAY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-amino-N'-(2-fluorophenyl)-N'-[1-(4-hydroxyphenyl)-2-oxo-2-(phenylmethylamino)ethyl]isothiazole-3,5-dicarboxamide
  • 4-amino-N'-[2-(benzylamino)-1-(4-hydroxyphenyl)-2-keto-ethyl]-N'-(2-fluorophenyl)isothiazole-3,5-dicarboxamide
  • Oprea1_527240
  • ASN 03780123

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references
Saccharomyces cerevisiae Rce1p Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Sus scrofa Trypsin Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei gambiense CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48), putative Get druggable targets OG5_129169 All targets in OG5_129169
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei CAAX amino terminal protease, putative Get druggable targets OG5_129169 All targets in OG5_129169
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma mansoni family U48 unassigned peptidase (U48 family) Get druggable targets OG5_129169 All targets in OG5_129169
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) Get druggable targets OG5_129169 All targets in OG5_129169
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like Get druggable targets OG5_129169 All targets in OG5_129169
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Giardia lamblia Hypothetical protein Get druggable targets OG5_129169 All targets in OG5_129169
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126639 All targets in OG5_126639
Trypanosoma cruzi CAAX prenyl protease 2, putative Get druggable targets OG5_129169 All targets in OG5_129169
Leishmania braziliensis CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) Get druggable targets OG5_129169 All targets in OG5_129169
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K09639 transmembrane protease, serine 8, putative Get druggable targets OG5_126639 All targets in OG5_126639
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Brugia malayi Trypsin family protein Get druggable targets OG5_126639 All targets in OG5_126639
Schistosoma japonicum ko:K08658 prenyl protein peptidase, putative Get druggable targets OG5_129169 All targets in OG5_129169
Onchocerca volvulus Get druggable targets OG5_126639 All targets in OG5_126639
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
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
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum expressed protein Get druggable targets OG5_129169 All targets in OG5_129169
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Get druggable targets OG5_126639 All targets in OG5_126639
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus CAAX prenyl protease 2 Get druggable targets OG5_129169 All targets in OG5_129169
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Onchocerca volvulus Get druggable targets OG5_126639 All targets in OG5_126639
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
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
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) Get druggable targets OG5_129169 All targets in OG5_129169
Leishmania donovani CAAX prenyl protease 2, putative Get druggable targets OG5_129169 All targets in OG5_129169
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Leishmania infantum CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) Get druggable targets OG5_129169 All targets in OG5_129169
Brugia malayi CAAX amino terminal protease family protein Get druggable targets OG5_129169 All targets in OG5_129169
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129169 All targets in OG5_129169
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Get druggable targets OG5_126639 All targets in OG5_126639
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Entamoeba histolytica CAAX prenyl protease family Get druggable targets OG5_129169 All targets in OG5_129169
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126639 All targets in OG5_126639
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) Get druggable targets OG5_129169 All targets in OG5_129169
Trypanosoma congolense CAAX amino terminal protease, putative Get druggable targets OG5_129169 All targets in OG5_129169
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K09639 transmembrane protease, serine 8, putative Get druggable targets OG5_126639 All targets in OG5_126639
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 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
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni family U48 unassigned peptidase (U48 family) Get druggable targets OG5_129169 All targets in OG5_129169
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans ras and a-factor terminal proteolysis Get druggable targets OG5_129169 All targets in OG5_129169
Candida albicans ras and a-factor terminal proteolysis Get druggable targets OG5_129169 All targets in OG5_129169
Echinococcus multilocularis CAAX prenyl protease 2 Get druggable targets OG5_129169 All targets in OG5_129169
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus glycoprotein Antigen 5 Trypsin   231 aa 301 aa 23.9 %
Drosophila melanogaster CG5909 gene product from transcript CG5909-RA Trypsin   231 aa 256 aa 28.9 %
Onchocerca volvulus Trypsin   231 aa 251 aa 22.7 %
Drosophila melanogaster CG31220 gene product from transcript CG31220-RB Trypsin   231 aa 263 aa 27.8 %
Echinococcus granulosus enteropeptidase Trypsin   231 aa 230 aa 28.3 %
Schistosoma japonicum IPR001254,Peptidase S1 and S6, chymotrypsin/Hap;IPR009003,Peptidase, trypsin-like serine and cysteine,domain-containing Trypsin   231 aa 225 aa 23.1 %
Onchocerca volvulus Trypsin   231 aa 212 aa 21.2 %
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family Trypsin   231 aa 286 aa 24.8 %
Drosophila melanogaster CG17239 gene product from transcript CG17239-RB Trypsin   231 aa 227 aa 33.5 %
Schistosoma japonicum Enteropeptidase, putative Trypsin   231 aa 262 aa 25.6 %
Schistosoma japonicum ko:K01346 pancreatic elastase II [EC3.4.21.71], putative Trypsin   231 aa 303 aa 24.1 %
Drosophila melanogaster CG9733 gene product from transcript CG9733-RB Trypsin   231 aa 262 aa 31.3 %
Drosophila melanogaster CG33465 gene product from transcript CG33465-RC Trypsin   231 aa 225 aa 21.8 %
Drosophila melanogaster Spatzle-Processing Enzyme Trypsin   231 aa 271 aa 29.1 %
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Trypsin   231 aa 302 aa 24.8 %
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Trypsin   231 aa 247 aa 35.2 %
Drosophila melanogaster CG11313 gene product from transcript CG11313-RC Trypsin   231 aa 255 aa 31.8 %
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) Trypsin   231 aa 286 aa 25.2 %
Schistosoma japonicum ko:K09637 transmembrane protease, serine 6, putative Trypsin   231 aa 242 aa 28.9 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Drosophila melanogaster CG30083 gene product from transcript CG30083-RB Trypsin   231 aa 209 aa 29.7 %
Neospora caninum ELMO/CED-12 family domain-containing protein, putative Trypsin   231 aa 193 aa 22.8 %
Drosophila melanogaster CG30287 gene product from transcript CG30287-RA Trypsin   231 aa 249 aa 27.7 %
Schistosoma japonicum Cercarial protease precursor (EC 3.4.21.-) (Cercarial elastase), putative Trypsin   231 aa 204 aa 25.0 %
Drosophila melanogaster CG34436 gene product from transcript CG34436-RA Trypsin   231 aa 214 aa 22.0 %
Schistosoma mansoni cercarial elastase (S01 family) Trypsin   231 aa 235 aa 25.5 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Loa Loa (eye worm) hypothetical protein Trypsin   231 aa 238 aa 21.4 %
Drosophila melanogaster CG3916 gene product from transcript CG3916-RA Trypsin   231 aa 245 aa 31.4 %
Drosophila melanogaster CG6582 gene product from transcript CG6582-RA Trypsin   231 aa 187 aa 23.5 %
Schistosoma mansoni cercarial elastase (S01 family) Trypsin   231 aa 237 aa 24.1 %
Drosophila melanogaster CG10405 gene product from transcript CG10405-RB Trypsin   231 aa 242 aa 31.8 %
Echinococcus multilocularis transmembrane protease serine 3 Trypsin   231 aa 233 aa 33.0 %
Drosophila melanogaster Jonah 66Ci Trypsin   231 aa 234 aa 32.9 %
Drosophila melanogaster CG30288 gene product from transcript CG30288-RC Trypsin   231 aa 245 aa 29.0 %
Drosophila melanogaster Jonah 99Ci Trypsin   231 aa 235 aa 31.9 %
Drosophila melanogaster Jonah 65Aiii Trypsin   231 aa 241 aa 34.0 %
Drosophila melanogaster CG14990 gene product from transcript CG14990-RA Trypsin   231 aa 238 aa 29.4 %
Drosophila melanogaster CG13744 gene product from transcript CG13744-RA Trypsin   231 aa 249 aa 31.3 %
Drosophila melanogaster CG4914 gene product from transcript CG4914-RA Trypsin   231 aa 245 aa 38.8 %
Drosophila melanogaster CG3505 gene product from transcript CG3505-RA Trypsin   231 aa 232 aa 30.6 %
Schistosoma mansoni cercarial elastase (S01 family) Trypsin   231 aa 235 aa 25.5 %
Drosophila melanogaster CG9997 gene product from transcript CG9997-RB Trypsin   231 aa 194 aa 23.2 %
Echinococcus multilocularis glycoprotein Antigen 5 Trypsin   231 aa 301 aa 22.3 %
Echinococcus granulosus transmembrane protease serine 3 Trypsin   231 aa 234 aa 33.8 %
Drosophila melanogaster CG33458 gene product from transcript CG33458-RA Trypsin   231 aa 254 aa 28.4 %
Trypanosoma cruzi hypothetical protein, conserved Trypsin   231 aa 188 aa 23.9 %
Drosophila melanogaster CG9673 gene product from transcript CG9673-RB Trypsin   231 aa 239 aa 27.6 %
Echinococcus multilocularis Mastin Trypsin   231 aa 306 aa 24.2 %
Drosophila melanogaster CG30323 gene product from transcript CG30323-RB Trypsin   231 aa 210 aa 23.3 %
Drosophila melanogaster CG32277 gene product from transcript CG32277-RA Trypsin   231 aa 221 aa 33.5 %
Drosophila melanogaster CG31267 gene product from transcript CG31267-RA Trypsin   231 aa 233 aa 32.2 %
Schistosoma mansoni cercarial elastase (S01 family) Trypsin   231 aa 201 aa 22.9 %
Schistosoma mansoni aminopeptidase PILS (M01 family) Trypsin   231 aa 300 aa 22.3 %
Drosophila melanogaster CG31326 gene product from transcript CG31326-RA Trypsin   231 aa 249 aa 24.1 %
Drosophila melanogaster CG4815 gene product from transcript CG4815-RA Trypsin   231 aa 212 aa 27.4 %
Drosophila melanogaster Jonah 65Aii Trypsin   231 aa 235 aa 35.3 %
Echinococcus granulosus Mastin Trypsin   231 aa 306 aa 23.9 %
Echinococcus multilocularis enteropeptidase Trypsin   231 aa 230 aa 27.8 %
Schistosoma japonicum Transmembrane protease, serine 9, putative Trypsin   231 aa 246 aa 21.1 %
Drosophila melanogaster CG18180 gene product from transcript CG18180-RA Trypsin   231 aa 233 aa 27.9 %
Drosophila melanogaster CG18420 gene product from transcript CG18420-RA Trypsin   231 aa 239 aa 28.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0078 0.0639 0.0881
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0072 0.0084
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0111 0.0975 0.1363
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0072 0.0192
Mycobacterium tuberculosis Probable integral membrane protein 0.0023 0.0063 0.1754
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0142 0.1241
Schistosoma mansoni hypothetical protein 0.0075 0.0608 0.0836
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0114 0.1008 0.141
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.0188 0.0235
Schistosoma mansoni peptidase Clp (S14 family) 0.0078 0.0639 0.0881
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0027 0.0106 0.0165
Schistosoma mansoni lamin 0.0027 0.0106 0.0118
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0078 0.0639 0.1939
Giardia lamblia Macrophage migration inhibitory factor 0.0576 0.5811 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.04 0.0377
Echinococcus multilocularis microtubule associated protein 2 0.0691 0.7006 0.6999
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0072 0.0084
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0072 0.0192
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.0576 0.5811 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0078 0.0639 0.1939
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0072 0.0016
Mycobacterium ulcerans glutaminase 0.033 0.3256 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0072 0.0192
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0072 0.0084
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0072 0.2017
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0111 0.0975 0.1644
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0023 0.0063 0.1754
Echinococcus multilocularis geminin 0.017 0.1589 0.1569
Onchocerca volvulus 0.0027 0.0106 0.033
Brugia malayi hypothetical protein 0.002 0.003 0.001
Echinococcus multilocularis lamin 0.0027 0.0106 0.0083
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.001 0.028
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.04 0.0377
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0023 0.0063 0.1754
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.04 0.0672
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0142 0.1241
Echinococcus granulosus CAAX prenyl protease 2 0.0111 0.0975 0.1363
Onchocerca volvulus Huntingtin homolog 0.0123 0.11 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0072 0.0016
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0106 0.0142
Plasmodium vivax macrophage migration inhibitory factor, putative 0.0576 0.5811 1
Mycobacterium ulcerans integral membrane protein 0.0023 0.0063 0.0163
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0078 0.0639 0.1085
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.04 0.0538
Entamoeba histolytica CAAX prenyl protease family 0.0111 0.0975 0.1587
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0246 0.2379 0.4084
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0072 0.0084
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0106 0.0166
Echinococcus multilocularis GPCR, family 2 0.0035 0.0188 0.0164
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0051 0.0359 1
Echinococcus granulosus intermediate filament protein 0.0027 0.0106 0.0118
Loa Loa (eye worm) hypothetical protein 0.0035 0.0188 0.0306
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0142 0.0227
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0246 0.2379 0.4084
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0051 0.0359 0.5056
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0142 0.0204
Brugia malayi CAAX amino terminal protease family protein 0.0111 0.0975 0.1644
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0072 0.2017
Loa Loa (eye worm) hypothetical protein 0.0123 0.11 0.188
Brugia malayi intermediate filament protein 0.0027 0.0106 0.0142
Trichomonas vaginalis glutaminase, putative 0.033 0.3256 0.4715
Schistosoma mansoni lamin 0.0027 0.0106 0.0118
Loa Loa (eye worm) hypothetical protein 0.0111 0.0975 0.1664
Trypanosoma brucei CAAX amino terminal protease, putative 0.0111 0.0975 1
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0106 0.0166
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0142 0.1241
Loa Loa (eye worm) hypothetical protein 0.0024 0.0072 0.0107
Echinococcus granulosus GPCR family 2 0.0035 0.0188 0.0235
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0111 0.0975 0.1363
Plasmodium vivax protease, putative 0.0023 0.0063 0.0091
Brugia malayi Latrophilin receptor protein 2 0.0035 0.0188 0.0283
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0142 0.0227
Loa Loa (eye worm) glutaminase 0.033 0.3256 0.5594
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0027 0.0106 0.0593
Schistosoma mansoni intermediate filament proteins 0.0027 0.0106 0.0118
Toxoplasma gondii hypothetical protein 0.0023 0.0063 0.0067
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0078 0.0639 0.5
Echinococcus granulosus microtubule associated protein 2 0.0691 0.7006 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.011 0.097 0.1634
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0078 0.0639 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0114 0.1008 0.141
Brugia malayi Probable ClpP-like protease 0.0078 0.0639 0.1063
Echinococcus granulosus lamin 0.0027 0.0106 0.0118
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.04 0.0649
Toxoplasma gondii hypothetical protein 0.0027 0.0106 0.0142
Brugia malayi glutaminase DH11.1 0.033 0.3256 0.5584
Plasmodium falciparum macrophage migration inhibitory factor 0.0576 0.5811 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0078 0.0639 0.1063
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0063 0.1754
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.04 0.0538
Echinococcus granulosus geminin 0.017 0.1589 0.2241
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0078 0.0639 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0051 0.0359 0.0336
Loa Loa (eye worm) hypothetical protein 0.0024 0.0072 0.0107
Onchocerca volvulus 0.0106 0.0931 0.8352
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0027 0.0106 0.0165
Schistosoma mansoni hypothetical protein 0.0035 0.0188 0.0235
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.011 0.097 0.1634
Toxoplasma gondii CAAX amino terminal protease family protein 0.0023 0.0063 0.0067
Brugia malayi Trypsin family protein 0.0114 0.1008 0.1701
Loa Loa (eye worm) hypothetical protein 0.0114 0.1008 0.172
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0111 0.0975 1
Loa Loa (eye worm) hypothetical protein 0.0123 0.11 0.188
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0072 0.0192
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0072 0.0192
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.0024 0.0024
Loa Loa (eye worm) hypothetical protein 0.0024 0.0072 0.0107
Leishmania major macrophage migration inhibitory factor-like protein 0.0576 0.5811 1
Schistosoma mansoni hypothetical protein 0.017 0.1589 0.2241
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0035 0.0188 0.0164
Chlamydia trachomatis hypothetical protein 0.0023 0.0063 0.0841
Loa Loa (eye worm) hypothetical protein 0.011 0.097 0.1655
Mycobacterium ulcerans hypothetical protein 0.0024 0.0072 0.0192
Schistosoma mansoni hypothetical protein 0.0035 0.0188 0.0235
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.04 0.0538
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0142 0.0227
Echinococcus multilocularis musashi 0.0027 0.0106 0.0083
Leishmania major macrophage migration inhibitory factor-like protein 0.0576 0.5811 1
Schistosoma mansoni glutaminase 0.033 0.3256 0.4629
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0078 0.0639 0.1085
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0078 0.0639 0.1063
Loa Loa (eye worm) macrophage migration inhibitory factor 0.0576 0.5811 1
Schistosoma mansoni hypothetical protein 0.0035 0.0188 0.0235
Leishmania major hypothetical protein, conserved 0.003 0.0142 0.0204
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.0024 0.0024
Brugia malayi latrophilin 2 splice variant baaae 0.0075 0.0608 0.1009
Plasmodium falciparum protease, putative 0.0023 0.0063 0.0091
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0027 0.0106 0.0748
Echinococcus multilocularis lamin dm0 0.0027 0.0106 0.0083
Brugia malayi Bm-MIF-1, identical 0.0576 0.5811 1
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.0576 0.5811 1
Brugia malayi hypothetical protein 0.0123 0.11 0.186
Schistosoma mansoni hypothetical protein 0.0035 0.0188 0.0235
Loa Loa (eye worm) glutaminase 2 0.033 0.3256 0.5594
Loa Loa (eye worm) hypothetical protein 0.0114 0.1008 0.172
Onchocerca volvulus 0.0114 0.1008 0.9102
Echinococcus granulosus peptidase Clp S14 family 0.0051 0.0359 0.048
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.04 0.0538
Loa Loa (eye worm) hypothetical protein 0.0027 0.0106 0.0166
Echinococcus granulosus lamin dm0 0.0027 0.0106 0.0118
Loa Loa (eye worm) hypothetical protein 0.003 0.0142 0.0227
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0072 0.0084
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.0188 0.0306
Onchocerca volvulus Huntingtin homolog 0.0123 0.11 1
Brugia malayi hypothetical protein 0.003 0.0142 0.0204
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0072 0.0016
Loa Loa (eye worm) hypothetical protein 0.0078 0.0639 0.1085
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.04 0.0538
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0051 0.0359 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0078 0.0639 0.0617
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.0576 0.5811 1
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0111 0.0975 1
Mycobacterium ulcerans hypothetical protein 0.0023 0.0063 0.0163
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.0188 0.0164
Echinococcus multilocularis CAAX prenyl protease 2 0.0111 0.0975 0.0954
Schistosoma mansoni hypothetical protein 0.017 0.1589 0.2241
Onchocerca volvulus 0.0027 0.0106 0.033
Loa Loa (eye worm) pigment dispersing factor receptor c 0.011 0.097 0.1655
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0024 0.0024
Loa Loa (eye worm) hypothetical protein 0.0075 0.0608 0.103
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0078 0.0639 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0072 0.0084
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.0188 0.0283
Loa Loa (eye worm) hypothetical protein 0.0027 0.0101 0.0157
Mycobacterium ulcerans hypothetical protein 0.0023 0.0063 0.0163
Schistosoma mansoni microtubule-associated protein tau 0.0691 0.7006 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0072 0.0192
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0035 0.0188 0.0235
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0078 0.0639 1
Trichomonas vaginalis conserved hypothetical protein 0.0576 0.5811 1
Toxoplasma gondii hypothetical protein 0.0023 0.0063 0.0067
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0072 0.0192
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.0024 0.0668

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) = 12.05 uM PUBCHEM_BIOASSAY: Trypsin Inhibition Assay Measured in Biochemical System Using Plate Reader - 2034-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2618] ChEMBL. No reference
AC50 (binding) = 13.81 uM PUBCHEM_BIOASSAY: Ras-converting Enzyme/Cell Proliferation Pathway Measured in Biochemical System Using Plate Reader - 2034-01_Inhibitor_Dose_CherryPick. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2618] ChEMBL. No reference
Potency (functional) 0.631 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.2387 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.5104 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 16.3601 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 63.0957 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

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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.