Detailed information for compound 755157

Basic information

Technical information
  • TDR Targets ID: 755157
  • Name: 2-chloro-N-[2-[1-[(4-ethylphenyl)methyl]piper idin-4-yl]pyrazol-3-yl]benzamide
  • MW: 422.95 | Formula: C24H27ClN4O
  • H donors: 1 H acceptors: 2 LogP: 4.81 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)CN1CCC(CC1)n1nccc1NC(=O)c1ccccc1Cl
  • InChi: 1S/C24H27ClN4O/c1-2-18-7-9-19(10-8-18)17-28-15-12-20(13-16-28)29-23(11-14-26-29)27-24(30)21-5-3-4-6-22(21)25/h3-11,14,20H,2,12-13,15-17H2,1H3,(H,27,30)
  • InChiKey: UHQGRYFCWPXUMP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-chloro-N-[2-[1-[(4-ethylphenyl)methyl]-4-piperidyl]pyrazol-3-yl]benzamide
  • 2-chloro-N-[2-[1-[(4-ethylphenyl)methyl]-4-piperidinyl]-3-pyrazolyl]benzamide
  • 2-chloro-N-[2-[1-(4-ethylbenzyl)-4-piperidyl]pyrazol-3-yl]benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0111 0.1078 0.1489
Echinococcus granulosus jumonji domain containing protein 0.0045 0.037 0.0496
Loa Loa (eye worm) thioredoxin reductase 0.0052 0.0446 0.0447
Echinococcus multilocularis cpg binding protein 0.003 0.0207 0.021
Schistosoma mansoni ran 0.0022 0.0128 0.0157
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0038 0.0293 0.2401
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.0354 0.7673
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0018 0.008 0.0969
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0554 0.0755
Loa Loa (eye worm) hypothetical protein 0.0057 0.0503 0.0506
Onchocerca volvulus 0.0622 0.6582 1
Entamoeba histolytica hypothetical protein 0.0025 0.0153 0.1007
Brugia malayi glutathione reductase 0.0052 0.0446 0.0431
Schistosoma mansoni hypothetical protein 0.0402 0.4209 0.588
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0018 0.008 0.009
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0018 0.008 0.0577
Loa Loa (eye worm) jmjC domain-containing protein 0.0041 0.0324 0.032
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.1751 0.6309
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0119 0.1163 0.8864
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.0554 0.0591
Loa Loa (eye worm) hypothetical protein 0.0051 0.0438 0.0438
Schistosoma mansoni hypothetical protein 0.0045 0.0372 0.0499
Schistosoma mansoni ran 0.0022 0.0128 0.0157
Echinococcus granulosus ubiquitin specific protease 41 0.0038 0.0293 0.0389
Plasmodium vivax hypothetical protein, conserved 0.0032 0.0234 0.3111
Loa Loa (eye worm) hypothetical protein 0.0038 0.0293 0.0288
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0185 0.2403
Entamoeba histolytica hypothetical protein 0.0047 0.0396 0.3418
Loa Loa (eye worm) hypothetical protein 0.0033 0.024 0.0233
Onchocerca volvulus Alhambra homolog 0.0032 0.0234 0.0069
Trypanosoma brucei DNA polymerase IV, putative 0.0043 0.0354 0.794
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0018 0.008 0.1799
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0185 0.3381
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.071 1
Loa Loa (eye worm) hypothetical protein 0.01 0.0967 0.0987
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0018 0.0075 0.0083
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0188 0.1904 0.2648
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0077 0.071 0.0763
Loa Loa (eye worm) hypothetical protein 0.0047 0.0396 0.0394
Mycobacterium tuberculosis Probable dehydrogenase 0.0119 0.1163 0.8864
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0396 0.1192
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0293 0.6574
Loa Loa (eye worm) hypothetical protein 0.0055 0.0482 0.0484
Trichomonas vaginalis hypothetical protein 0.0047 0.0396 0.1192
Leishmania major hypothetical protein, conserved 0.0028 0.0185 0.2652
Trichomonas vaginalis glucosylceramidase, putative 0.0264 0.2728 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0077 0.071 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1437 0.1476
Schistosoma mansoni gabp alpha 0.0083 0.078 0.1071
Giardia lamblia Kinase, CMGC MAPK 0.005 0.0425 1
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0128 0.0112
Brugia malayi Ets-domain containing protein 0.0083 0.078 0.0765
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0013 0.0029 0.0013
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0026 0.017 0.1428
Schistosoma mansoni hypothetical protein 0.01 0.0967 0.1333
Brugia malayi F/Y-rich N-terminus family protein 0.0019 0.0093 0.0077
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.01 0.0967 0.0952
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0038 0.0293 0.0305
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0038 0.0293 0.0389
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0128 0.1947
Echinococcus multilocularis PHD finger protein rhinoceros 0.0032 0.0234 0.0239
Brugia malayi jmjC domain containing protein 0.0106 0.1024 0.101
Trichomonas vaginalis glucosylceramidase, putative 0.0183 0.1851 0.6689
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.0554 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0132 0.1306 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0018 0.008 0.009
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.0324 0.0432
Schistosoma mansoni cpg binding protein 0.003 0.0207 0.0268
Schistosoma mansoni peptidase Clp (S14 family) 0.0077 0.071 0.0974
Trichomonas vaginalis glucosylceramidase, putative 0.0264 0.2728 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.0461 0.6429
Schistosoma mansoni patched 1 0.0047 0.039 0.0524
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0188 0.1904 0.2648
Echinococcus granulosus PHD finger protein rhinoceros 0.0032 0.0234 0.0306
Echinococcus granulosus lysine specific demethylase 5A 0.0041 0.0324 0.0432
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.0128 0.1586
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0153 0.257
Mycobacterium tuberculosis Probable reductase 0.0119 0.1163 0.8864
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.1751 0.6309
Echinococcus granulosus expressed conserved protein 0.0102 0.0988 0.1364
Trypanosoma brucei DNA polymerase IV, putative 0.0037 0.0279 0.6255
Brugia malayi ImpB/MucB/SamB family protein 0.0015 0.0051 0.0035
Echinococcus multilocularis GPCR, family 2 0.01 0.0967 0.1044
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0354 0.794
Toxoplasma gondii NADPH-glutathione reductase 0.0018 0.008 0.0969
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.053 0.0721
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0128 0.1654
Brugia malayi CXXC zinc finger family protein 0.0028 0.019 0.0174
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0047 0.0396 0.1192
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0215 0.4816
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0106 0.1024 0.1107
Mycobacterium ulcerans DNA polymerase IV 0.0043 0.0354 0.4346
Brugia malayi RNA, U transporter 1 0.0087 0.0821 0.0806
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0317 0.3301 0.341
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0104 0.1339
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0128 0.0158
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0119 0.1163 0.8745
Toxoplasma gondii hypothetical protein 0.0026 0.017 0.2258
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0038 0.0293 0.0305
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0026 0.017 0.2195
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0104 0.1238
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0018 0.008 0.1799
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0026 0.017 0.2195
Loa Loa (eye worm) hypothetical protein 0.0317 0.3301 0.341
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.0554 0.7764
Plasmodium falciparum thioredoxin reductase 0.0052 0.0446 0.6179
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0015 0.0051 0.005
Schistosoma mansoni cpg binding protein 0.0028 0.019 0.0244
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0185 0.2403
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0554 0.0755
Echinococcus granulosus peregrin 0.0032 0.0234 0.0306
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0018 0.008 0.0895
Schistosoma mansoni cpg binding protein 0.003 0.0207 0.0268
Loa Loa (eye worm) hypothetical protein 0.0071 0.065 0.0658
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0354 0.794
Giardia lamblia DINP protein human, muc B family 0.0022 0.0126 0.1338
Echinococcus multilocularis sterol regulatory element binding protein 0.0047 0.039 0.0411
Echinococcus multilocularis snurportin 1 0.0326 0.3394 0.3708
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.071 1
Trichomonas vaginalis glucosylceramidase, putative 0.0264 0.2728 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0132 0.1306 1
Entamoeba histolytica hypothetical membrane-spanning protein 0.0047 0.0396 0.3418
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0104 0.009
Plasmodium falciparum glutathione reductase 0.0018 0.008 0.0895
Loa Loa (eye worm) hypothetical protein 0.0077 0.071 0.0721
Echinococcus multilocularis lysine specific demethylase 5A 0.0039 0.0307 0.0319
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0354 0.794
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0354 0.794
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0185 0.2465
Loa Loa (eye worm) hypothetical protein 0.0032 0.0234 0.0226
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.1751 0.6309
Schistosoma mansoni hypothetical protein 0.0045 0.0372 0.0499
Brugia malayi Importin beta-1 subunit 0.0031 0.0215 0.0199
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0104 0.105
Echinococcus multilocularis protein dispatched 1 0.0053 0.0461 0.0489
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 1 0.0047 0.0396 0.0381
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.0354 0.7673
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0018 0.008 0.0064
Entamoeba histolytica hypothetical protein 0.0047 0.0396 0.3418
Mycobacterium tuberculosis Probable oxidoreductase 0.0132 0.1306 1
Onchocerca volvulus Glucosylceramidase homolog 0.0173 0.1751 0.2442
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0188 0.1904 0.2648
Schistosoma mansoni hypothetical protein 0.0045 0.0372 0.0499
Echinococcus granulosus microtubule associated protein 2 0.0675 0.7148 1
Schistosoma mansoni hypothetical protein 0.0363 0.3787 0.5288
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0104 0.009
Trichomonas vaginalis glucosylceramidase, putative 0.0183 0.1851 0.6689
Plasmodium vivax importin-beta 2, putative 0.0031 0.0215 0.2839
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0104 0.0378
Toxoplasma gondii hypothetical protein 0.0047 0.0396 0.5491
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0047 0.0396 0.0381
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.1751 0.6309
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0128 0.0123
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0018 0.008 0.1799
Echinococcus multilocularis Niemann Pick C1 protein 0.0156 0.1563 0.1698
Schistosoma mansoni hypothetical protein 0.01 0.0967 0.1333
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0153 0.0274
Brugia malayi hypothetical protein 0.0018 0.0079 0.0063
Echinococcus multilocularis dna polymerase kappa 0.0043 0.0354 0.0372
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0317 0.3301 0.329
Plasmodium vivax sphingomyelin synthase 1, putative 0.0047 0.0396 0.5454
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.005 0.0425 0.9462
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0104 0.0088
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0022 0.0126 0.0599
Echinococcus multilocularis microtubule associated protein 2 0.0675 0.7148 0.7829
Echinococcus multilocularis tumor protein p63 0.035 0.3654 0.3994
Trypanosoma cruzi trypanothione reductase, putative 0.0018 0.008 0.0736
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0018 0.008 0.1799
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0215 0.4816
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.0293 0.0804
Plasmodium falciparum thioredoxin reductase 0.0018 0.008 0.0895
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.002 0.0006
Brugia malayi CHE-14 protein 0.0047 0.039 0.0374
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.002 0.0005
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0554 0.7524
Echinococcus multilocularis thioredoxin glutathione reductase 0.0052 0.0446 0.0472
Trypanosoma brucei protein kinase, putative 0.005 0.0425 0.9524
Trypanosoma cruzi trypanothione reductase, putative 0.0052 0.0446 1
Schistosoma mansoni hypothetical protein 0.0012 0.002 0.0006
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.005 0.0425 0.9524
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0354 0.794
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0018 0.008 0.0736
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0132 0.1306 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0109 0.1059 0.1146
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0047 0.0396 0.1192
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0104 0.0378
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0018 0.008 0.0232
Plasmodium falciparum phd finger protein, putative 0.0032 0.0234 0.3111
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.008 0.0736
Schistosoma mansoni ets-related 0.0252 0.2599 0.3622
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0264 0.2728 0.2816
Schistosoma mansoni hypothetical protein 0.01 0.0967 0.1333
Plasmodium falciparum sphingomyelin synthase 1, putative 0.0047 0.0396 0.5454
Trypanosoma cruzi sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0047 0.0396 0.8728
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0104 0.0524
Loa Loa (eye worm) latrophilin receptor protein 2 0.01 0.0967 0.0987
Leishmania major phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0047 0.0396 0.6848
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0185 0.414
Schistosoma mansoni microtubule-associated protein tau 0.0675 0.7148 1
Leishmania major GTP-binding protein, putative 0.0022 0.0128 0.1528
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0015 0.0051 0.005
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0075 0.1685
Brugia malayi Ets-domain containing protein 0.0083 0.078 0.0765
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0425 0.9462
Trypanosoma brucei sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0047 0.0396 0.8874
Brugia malayi PHD-finger family protein 0.0012 0.0017 0.0001
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0106 0.1024 0.1414
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0128 0.1947
Echinococcus granulosus dna polymerase kappa 0.0043 0.0354 0.0475
Plasmodium falciparum sphingomyelin synthase 2, putative 0.0047 0.0396 0.5454
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0234 0.3167
Schistosoma mansoni hypothetical protein 0.0326 0.3394 0.4736
Brugia malayi PHD-finger family protein 0.0032 0.0234 0.0218
Entamoeba histolytica Ran family GTPase 0.0022 0.0128 0.0763
Loa Loa (eye worm) glutathione reductase 0.0052 0.0446 0.0447
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.0554 0.0755
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.01 0.0967 0.1044
Echinococcus multilocularis expressed conserved protein 0.0102 0.0988 0.1068
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0293 0.613
Trypanosoma brucei ceramide phosphorylethanolamine synthase 0.0047 0.0396 0.8874
Brugia malayi jmjC domain containing protein 0.0041 0.0324 0.0309
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0032 0.0234 0.0305
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0038 0.0293 0.0389
Plasmodium vivax sphingomyelin synthase 2, putative 0.0047 0.0396 0.5454
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0077 0.071 0.4758
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0264 0.2728 0.2717
Brugia malayi Thioredoxin reductase 0.0052 0.0446 0.0431
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0293 0.0804
Echinococcus granulosus sterol regulatory element binding protein 0.0047 0.039 0.0524
Loa Loa (eye worm) hypothetical protein 0.0109 0.1059 0.1083
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0104 0.0092
Brugia malayi Calcitonin receptor-like protein seb-1 0.0317 0.3301 0.329
Schistosoma mansoni importin beta-1 0.0031 0.0215 0.0279
Echinococcus multilocularis dnaJ subfamily B 0.0402 0.4209 0.4603
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0052 0.0446 0.3148
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.0293 0.0804
Schistosoma mansoni cellular tumor antigen P53 0.0051 0.0438 0.0592
Schistosoma mansoni spingomyelin synthetase-related 0.0047 0.0396 0.0533
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0554 0.7524
Mycobacterium ulcerans DNA polymerase IV 0.0043 0.0354 0.4346
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0104 0.1339
Plasmodium falciparum glutathione reductase 0.0052 0.0446 0.6179
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0188 0.1904 0.2073
Loa Loa (eye worm) hypothetical protein 0.0012 0.0017 0.0001
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.071 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0015 0.0051 0.0039
Echinococcus granulosus Niemann Pick C1 protein 0.0109 0.1059 0.1463
Toxoplasma gondii thioredoxin reductase 0.0052 0.0446 0.621
Echinococcus multilocularis mitogen activated protein kinase 0.005 0.0425 0.0449
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0018 0.008 0.0895
Brugia malayi hypothetical protein 0.0622 0.6582 0.6577
Trypanosoma brucei sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0047 0.0396 0.8874
Trypanosoma cruzi sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0047 0.0396 0.8728
Leishmania major DNA polymerase kappa, putative 0.0022 0.0126 0.1494
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.005 0.0425 0.7424
Trypanosoma brucei DNA polymerase kappa, putative 0.0033 0.024 0.539
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0104 0.0097
Echinococcus granulosus Protein patched homolog 1 0.0047 0.039 0.0524
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0022 0.0126 0.1494
Echinococcus multilocularis peregrin 0.0032 0.0234 0.0239
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0859 0.9126 1
Echinococcus multilocularis ubiquitin specific protease 41 0.0038 0.0293 0.0305
Entamoeba histolytica hypothetical protein 0.0047 0.0396 0.3418
Onchocerca volvulus 0.0051 0.0438 0.0388
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 3 0.0047 0.0396 0.0381
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.1751 0.6309
Loa Loa (eye worm) hypothetical protein 0.0031 0.0215 0.0207
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0109 0.1059 1
Echinococcus granulosus peptidase Clp S14 family 0.005 0.0427 0.0576
Echinococcus granulosus geminin 0.0363 0.3787 0.5288
Loa Loa (eye worm) hypothetical protein 0.0028 0.0185 0.0175
Echinococcus granulosus GPCR family 2 0.01 0.0967 0.1333
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.039 0.1169
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0018 0.008 0.0895
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.0427 0.2992
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0104 0.2333
Toxoplasma gondii exonuclease III APE 0.002 0.0104 0.131
Loa Loa (eye worm) hypothetical protein 0.0015 0.0051 0.0037
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.0354 0.7673
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0018 0.008 0.0736
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0018 0.008 0.0895
Trypanosoma brucei unspecified product 0.0037 0.0279 0.6255
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0425 0.1301
Echinococcus granulosus tumor protein p63 0.035 0.3654 0.5101
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0047 0.0396 0.1192
Echinococcus granulosus snurportin 1 0.0326 0.3394 0.4736
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0425 0.1301
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0075 0.1685
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0038 0.0293 0.0389
Schistosoma mansoni hypothetical protein 0.0032 0.0234 0.0305
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.008 0.0736
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0188 0.1904 0.196
Loa Loa (eye worm) hypothetical protein 0.0047 0.0396 0.0394
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0425 0.1301
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0104 0.1238
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.008 0.0736
Leishmania major trypanothione reductase 0.0052 0.0446 0.7845
Trypanosoma brucei inositol phosphorylceramide synthase 0.0047 0.0396 0.8874
Loa Loa (eye worm) PHD-finger family protein 0.0032 0.0234 0.0226
Brugia malayi Fli-1 protein 0.0252 0.2599 0.2587
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0047 0.0396 0.0381
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0554 0.7524
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.005 0.0425 0.5906
Trichomonas vaginalis glucosylceramidase, putative 0.0264 0.2728 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0185 0.2403
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0354 0.794
Echinococcus granulosus sphingomyelin synthase protein 1 0.0047 0.0396 0.0533
Echinococcus granulosus GA binding protein alpha chain 0.0083 0.078 0.1071
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0083 0.078 0.0793
Entamoeba histolytica hypothetical protein 0.0047 0.0396 0.3418
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.0128 0.1586
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.008 0.0736
Schistosoma mansoni hypothetical protein 0.0363 0.3787 0.5288
Echinococcus granulosus mitogen activated protein kinase 0.005 0.0425 0.0574
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0354 0.794
Echinococcus multilocularis mitogen activated protein kinase 3 0.005 0.0425 0.0449
Trichomonas vaginalis ran, putative 0.0022 0.0128 0.0181
Plasmodium vivax glutathione reductase, putative 0.0052 0.0446 0.6179
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0104 0.0691
Trichomonas vaginalis DNA polymerase eta, putative 0.0043 0.0354 0.1034
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.1751 0.6309
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.0425 0.0424
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0128 0.0116
Echinococcus granulosus mitogen activated protein kinase 3 0.005 0.0425 0.0574
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0018 0.008 0.0577
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0188 0.1904 0.2648
Brugia malayi Sphingomyelin synthase-related 1 0.0047 0.0396 0.0381
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.0354 0.7673
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0104 0.0124
Loa Loa (eye worm) hypothetical protein 0.0217 0.222 0.2288
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.01 0.0967 0.1333
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0077 0.071 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0015 0.0051 0.005
Schistosoma mansoni hypothetical protein 0.01 0.0967 0.1333
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1437 0.1476
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0215 0.0219
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0293 0.613
Loa Loa (eye worm) hypothetical protein 0.0047 0.0396 0.0394
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0038 0.0293 0.0389
Brugia malayi Bromodomain containing protein 0.0032 0.0234 0.0218
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.0427 0.2257
Trichomonas vaginalis glucosylceramidase, putative 0.0264 0.2728 1
Echinococcus granulosus importin subunit beta 1 0.0031 0.0215 0.0279
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0126 0.2833
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0077 0.071 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0188 0.1904 0.2073
Schistosoma mansoni ap endonuclease 0.002 0.0104 0.0124
Schistosoma mansoni jumonji domain containing protein 0.0084 0.079 0.1086
Plasmodium falciparum importin beta, putative 0.0031 0.0215 0.2839
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0153 0.0274
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0038 0.0293 0.6181
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.0427 0.0451
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0043 0.0354 0.1034
Schistosoma mansoni ap endonuclease 0.002 0.0104 0.0124
Echinococcus granulosus dna polymerase eta 0.0015 0.0051 0.005
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0119 0.1163 0.8864
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0234 0.3167
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0015 0.0051 0.0037
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0038 0.0293 0.4809
Schistosoma mansoni DNA polymerase eta 0.0015 0.0051 0.005
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0354 0.794
Loa Loa (eye worm) hypothetical protein 0.0047 0.0396 0.0394
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.005 0.0425 0.9462
Echinococcus granulosus dnaJ subfamily B 0.0402 0.4209 0.588
Echinococcus granulosus cpg binding protein 0.003 0.0207 0.0268
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0425 0.9462
Echinococcus multilocularis protein patched 0.0047 0.039 0.0411
Loa Loa (eye worm) hypothetical protein 0.0047 0.039 0.0388
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0185 0.3381
Brugia malayi ImpB/MucB/SamB family protein 0.0015 0.0051 0.0035
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.1751 0.6309
Schistosoma mansoni serine/threonine protein kinase 0.005 0.0425 0.0573
Schistosoma mansoni hypothetical protein 0.0217 0.222 0.3091
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0018 0.008 0.0071
Brugia malayi Latrophilin receptor protein 2 0.01 0.0967 0.0952
Loa Loa (eye worm) fli-1 protein 0.0252 0.2599 0.2681
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.005 0.0425 0.7424
Trypanosoma brucei DNA polymerase kappa, putative 0.0033 0.024 0.539
Schistosoma mansoni hypothetical protein 0.0045 0.0372 0.0499
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0018 0.008 0.0577
Brugia malayi MH2 domain containing protein 0.0144 0.1437 0.1424
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.0554 0.4012
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.071 1
Echinococcus granulosus Niemann Pick C1 protein 0.0156 0.1563 0.2169
Loa Loa (eye worm) hypothetical protein 0.0622 0.6582 0.6816
Entamoeba histolytica hypothetical protein 0.0047 0.0396 0.3418
Loa Loa (eye worm) hypothetical protein 0.0907 0.9649 1
Giardia lamblia PHD finger protein 15 0.0032 0.0234 0.4452
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0104 0.0421
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0013 0.0029 0.0013
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0119 0.1163 0.8864
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0018 0.008 0.0577
Trypanosoma brucei DNA polymerase IV, putative 0.0043 0.0354 0.794
Brugia malayi latrophilin 2 splice variant baaae 0.0217 0.222 0.2208
Brugia malayi Probable ClpP-like protease 0.0077 0.071 0.0696
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0075 0.1685
Echinococcus granulosus thioredoxin glutathione reductase 0.0052 0.0446 0.0603
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0104 0.0378
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0425 0.1301
Echinococcus multilocularis sphingomyelin synthase protein 1 0.0047 0.0396 0.0417
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.019 0.0181
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0215 0.2897
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.008 0.0736
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.008 0.0736
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0188 0.1904 0.1892
Trichomonas vaginalis glucosylceramidase, putative 0.0264 0.2728 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0119 0.1163 0.8864
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.0427 0.2992
Echinococcus multilocularis dna polymerase eta 0.0015 0.0051 0.0039
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0047 0.039 0.0388
Loa Loa (eye worm) hypothetical protein 0.0047 0.0396 0.0394
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0.0128 0.1388
Echinococcus multilocularis geminin 0.0363 0.3787 0.414
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0153 0.0274
Brugia malayi MAP kinase sur-1 0.005 0.0425 0.041
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0128 0.2871
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0188 0.1904 0.2648
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.01 0.0967 0.1333
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0038 0.0293 0.0278
Brugia malayi hypothetical protein 0.0028 0.0185 0.0169
Loa Loa (eye worm) jmjC domain-containing protein 0.0067 0.0604 0.061
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0326 0.3394 0.3506
Echinococcus multilocularis jumonji domain containing protein 0.0045 0.037 0.0389
Trypanosoma brucei DNA polymerase eta, putative 0.0015 0.0051 0.1148
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.071 1
Trypanosoma brucei trypanothione reductase 0.0052 0.0446 1
Plasmodium vivax thioredoxin reductase, putative 0.0052 0.0446 0.6179
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.071 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0077 0.071 1
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 1 0.0907 0.9649 0.9649
Plasmodium falciparum sphingomyelin synthase 1, putative 0.0047 0.0396 0.5454
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.01 0.0967 0.1044
Echinococcus multilocularis GA binding protein alpha chain 0.0083 0.078 0.0839
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0354 0.794
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0047 0.0396 0.1192
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.0324 0.0432
Brugia malayi Niemann-Pick C1 protein precursor 0.0109 0.1059 0.1045
Brugia malayi polk-prov protein 0.0033 0.024 0.0225
Leishmania major importin beta-1 subunit, putative 0.0025 0.0153 0.2016
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0077 0.071 0.0974

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.6535 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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