Detailed information for compound 1722943

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 571.789 | Formula: C37H49NO4
  • H donors: 2 H acceptors: 3 LogP: 9.85 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCOc1ccc(cc1CNC(=O)c1ccc(cc1)C12CC3CC(C2)CC(C1)C3)C[C@H](C(=O)O)CC1CCCCC1
  • InChi: 1S/C37H49NO4/c1-2-14-42-34-13-8-26(19-31(36(40)41)18-25-6-4-3-5-7-25)20-32(34)24-38-35(39)30-9-11-33(12-10-30)37-21-27-15-28(22-37)17-29(16-27)23-37/h8-13,20,25,27-29,31H,2-7,14-19,21-24H2,1H3,(H,38,39)(H,40,41)/t27?,28?,29?,31-,37?/m1/s1
  • InChiKey: PNLONEWDPBDYQU-PNXYMTDXSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens peroxisome proliferator-activated receptor gamma 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
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus ecdysone induced protein 78C peroxisome proliferator-activated receptor gamma 477 aa 447 aa 28.2 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis peregrin 0.003 0.0056 0.0056
Trypanosoma brucei beta tubulin 0.0997 0.6073 1
Trypanosoma cruzi epsilon tubulin, putative 0.046 0.2733 0.4477
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0033 0.0076 0.0125
Trypanosoma cruzi tubulin delta chain 0.02 0.1113 0.1797
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0033 0.0076 0.0125
Trichomonas vaginalis tubulin, putative 0.02 0.1113 0.1797
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.006 0.0242 0.031
Echinococcus multilocularis tubulin alpha 3 chain 0.0562 0.3366 0.3366
Echinococcus granulosus peroxisome assembly protein 26 0.0562 0.3366 0.5543
Loa Loa (eye worm) hypothetical protein 0.0231 0.1309 0.2156
Entamoeba histolytica tubulin gamma chain 0.046 0.2733 0.4431
Toxoplasma gondii beta tubulin 0.0997 0.6073 1
Trypanosoma brucei tubulin gamma chain 0.046 0.2733 0.4431
Leishmania major alpha tubulin 0.0562 0.3366 0.5524
Schistosoma mansoni tubulin subunit alpha 0.0562 0.3366 0.5543
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0034 0.0082 0.0134
Brugia malayi hypothetical protein 0.0231 0.1309 0.2156
Brugia malayi Pre-SET motif family protein 0.006 0.0242 0.0399
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0098 0.0551
Echinococcus granulosus Niemann Pick C1 protein 0.0283 0.1627 0.268
Loa Loa (eye worm) beta-lactamase 0.0037 0.0098 0.0162
Trichomonas vaginalis tubulin beta chain, putative 0.0562 0.3366 0.5524
Toxoplasma gondii alpha tubulin TUBA1 0.0562 0.3366 0.5502
Onchocerca volvulus Alhambra homolog 0.003 0.0056 0.0198
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0147 0.0785 0.1292
Leishmania major beta tubulin 0.0997 0.6073 1
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0098 0.0551
Loa Loa (eye worm) hypothetical protein 0.0053 0.0199 0.0327
Plasmodium vivax pyruvate kinase, putative 0.0065 0.0276 0.0365
Entamoeba histolytica tubulin family protein 0.0997 0.6073 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0071 0.031 0.261
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0095 0.0157
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.006 0.0242 0.0399
Echinococcus granulosus tubulin gamma 1 chain 0.046 0.2733 0.4501
Echinococcus granulosus tubulin alpha 3 chain 0.0562 0.3366 0.5543
Leishmania major beta tubulin 0.0997 0.6073 1
Schistosoma mansoni tubulin subunit beta 0.02 0.1113 0.1832
Loa Loa (eye worm) hypothetical protein 0.0434 0.2566 0.4226
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0056 0.0092
Mycobacterium ulcerans acyl-CoA synthetase 0.0071 0.031 0.261
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0098 0.0551
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0033 0.0077 0.0083
Leishmania major alpha tubulin 0.0562 0.3366 0.5524
Toxoplasma gondii beta-1 tubulin, putative 0.0997 0.6073 1
Loa Loa (eye worm) glutamate receptor 0.0051 0.0186 0.0306
Loa Loa (eye worm) hypothetical protein 0.0037 0.0098 0.0162
Leishmania major beta tubulin 0.0997 0.6073 1
Brugia malayi tubulin alpha chain - mouse 0.0562 0.3366 0.5543
Schistosoma mansoni alpha tubulin 0.0562 0.3366 0.5543
Trypanosoma cruzi epsilon tubulin, putative 0.046 0.2733 0.4477
Giardia lamblia Beta tubulin 0.0997 0.6073 1
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0056 0.0092
Trichomonas vaginalis rotamase, putative 0.0033 0.0077 0.0083
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0053 0.0199 0.1585
Trichomonas vaginalis tubulin alpha chain, putative 0.046 0.2733 0.4477
Plasmodium vivax pyruvate kinase 2, putative 0.0034 0.0078 0.0036
Brugia malayi Tubulin alpha chain 0.02 0.1113 0.1832
Trypanosoma brucei alpha tubulin 0.0562 0.3366 0.5486
Plasmodium vivax SET domain protein, putative 0.006 0.0242 0.031
Loa Loa (eye worm) tubulin beta-4 chain 0.0997 0.6073 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0098 0.0162
Echinococcus granulosus tubulin alpha 3 chain 0.0562 0.3366 0.5543
Echinococcus multilocularis sterol regulatory element binding protein 0.0085 0.0397 0.0397
Schistosoma mansoni hypothetical protein 0.0082 0.0378 0.0623
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.02 0.1113 0.5
Entamoeba histolytica tubulin alpha chain, putative 0.0562 0.3366 0.5486
Loa Loa (eye worm) hypothetical protein 0.0085 0.0397 0.0654
Loa Loa (eye worm) hypothetical protein 0.0071 0.031 0.051
Echinococcus granulosus sterol regulatory element binding protein 0.0085 0.0397 0.0654
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0098 0.0661
Trypanosoma brucei alpha tubulin 0.0562 0.3366 0.5486
Schistosoma mansoni jumonji domain containing protein 0.0078 0.0355 0.0585
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.026 0.149 0.242
Leishmania major beta tubulin 0.0997 0.6073 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0098 0.0162
Echinococcus granulosus beta tubulin 0.0997 0.6073 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.005 0.0181 0.1183
Brugia malayi beta-tubulin, identical 0.0997 0.6073 1
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.0596 0.0982
Echinococcus granulosus pyruvate kinase 0.0034 0.0078 0.0128
Giardia lamblia Gamma tubulin 0.046 0.2733 0.445
Echinococcus granulosus peregrin 0.003 0.0056 0.0092
Schistosoma mansoni tubulin subunit epsilon 0.046 0.2733 0.4501
Echinococcus granulosus Tubulin alpha 1 chain 0.0562 0.3366 0.5543
Schistosoma mansoni tubulin subunit gamma 0.046 0.2733 0.4501
Onchocerca volvulus 0.0047 0.0163 0.0576
Onchocerca volvulus Pyruvate kinase homolog 0.0065 0.0276 0.0974
Mycobacterium tuberculosis Conserved protein 0.0037 0.0098 0.0551
Brugia malayi Tubulin gamma chain 0.046 0.2733 0.4501
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0362 0.2123 0.3496
Loa Loa (eye worm) tubulin beta chain 0.02 0.1113 0.1832
Giardia lamblia Epsilon tubulin 0.02 0.1113 0.1756
Brugia malayi metabotropic glutamate receptor type 2 0.0063 0.0262 0.0431
Plasmodium vivax tubulin alpha chain, putative 0.0562 0.3366 0.5502
Schistosoma mansoni hypothetical protein 0.0166 0.0901 0.1484
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0071 0.031 0.2087
Echinococcus multilocularis tubulin epsilon chain 0.046 0.2733 0.2733
Loa Loa (eye worm) tubulin alpha chain 0.0562 0.3366 0.5543
Loa Loa (eye worm) pyruvate kinase 0.0065 0.0276 0.0454
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0095 0.0095
Brugia malayi Tubulin alpha-2 chain 0.0562 0.3366 0.5543
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.02 0.1113 0.1756
Leishmania major 4-coumarate:coa ligase-like protein 0.0071 0.031 0.0469
Echinococcus multilocularis tubulin delta chain 0.02 0.1113 0.1113
Leishmania major beta tubulin 0.0997 0.6073 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0997 0.6073 1
Leishmania major alpha tubulin 0.0562 0.3366 0.5524
Mycobacterium tuberculosis Conserved protein 0.0037 0.0098 0.0551
Trichomonas vaginalis pyruvate kinase, putative 0.0065 0.0276 0.0412
Echinococcus granulosus Tubulin alpha 1 chain 0.0562 0.3366 0.5543
Echinococcus granulosus tubulin alpha chain 0.0562 0.3366 0.5543
Echinococcus multilocularis protein patched 0.0085 0.0397 0.0397
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.0596 0.0982
Echinococcus multilocularis tubulin alpha chain 0.0562 0.3366 0.3366
Echinococcus multilocularis tubulin alpha 1C chain 0.0562 0.3366 0.3366
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0033 0.0077 0.0083
Giardia lamblia Pyruvate kinase 0.0065 0.0276 0.0365
Echinococcus multilocularis jumonji domain containing protein 0.0042 0.0129 0.0129
Trypanosoma brucei alpha tubulin 0.0562 0.3366 0.5486
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0242 0.0399
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0071 0.031 0.261
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0098 0.0162
Echinococcus multilocularis pyruvate kinase 0.0034 0.0078 0.0078
Trypanosoma cruzi tubulin gamma chain 0.046 0.2733 0.4477
Entamoeba histolytica tubulin family protein 0.0997 0.6073 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0198 0.1099 0.1706
Loa Loa (eye worm) hypothetical protein 0.0035 0.0086 0.0141
Echinococcus granulosus pyruvate kinase 0.0034 0.0078 0.0128
Loa Loa (eye worm) tubulin alpha chain 0.0562 0.3366 0.5543
Brugia malayi Niemann-Pick C1 protein precursor 0.0198 0.1099 0.181
Trichomonas vaginalis tubulin epsilon chain, putative 0.0997 0.6073 1
Leishmania major beta tubulin 0.0997 0.6073 1
Onchocerca volvulus 0.0296 0.1709 0.6043
Trichomonas vaginalis tubulin beta chain, putative 0.026 0.149 0.242
Loa Loa (eye worm) hypothetical protein 0.006 0.0242 0.0399
Brugia malayi Cell division protein ftsZ 0.02 0.1113 0.1832
Trichomonas vaginalis tubulin gamma chain, putative 0.046 0.2733 0.4477
Leishmania major beta tubulin 0.0997 0.6073 1
Echinococcus multilocularis beta tubulin 0.0997 0.6073 0.6073
Trypanosoma cruzi zeta tubulin, putative 0.02 0.1113 0.1797
Loa Loa (eye worm) hypothetical protein 0.0033 0.0076 0.0125
Loa Loa (eye worm) runx1 0.0054 0.0208 0.0342
Brugia malayi AMP-binding enzyme family protein 0.0071 0.031 0.051
Loa Loa (eye worm) hypothetical protein 0.0051 0.0186 0.0306
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0098 0.0162
Trypanosoma brucei epsilon tubulin 0.046 0.2733 0.4431
Leishmania major alpha tubulin 0.0562 0.3366 0.5524
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0098 0.0661
Giardia lamblia Beta tubulin 0.0997 0.6073 1
Schistosoma mansoni tubulin subunit delta 0.02 0.1113 0.1832
Echinococcus multilocularis Tubulin beta 2C chain 0.0997 0.6073 0.6073
Trypanosoma brucei beta tubulin 0.046 0.2733 0.4431
Echinococcus multilocularis hypothetical protein 0.0562 0.3366 0.3366
Loa Loa (eye worm) tubulin alpha-2 chain 0.0562 0.3366 0.5543
Echinococcus multilocularis tubulin subunit TubB 0.0562 0.3366 0.3366
Brugia malayi AMP-binding enzyme family protein 0.0071 0.031 0.051
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0163 0.0268
Echinococcus granulosus Tubulin beta 2C chain 0.0997 0.6073 1
Brugia malayi hypothetical protein 0.0296 0.1709 0.2815
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0082 0.0091
Echinococcus granulosus tubulin alpha 0.046 0.2733 0.4501
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.005 0.0181 0.1183
Leishmania major epsilon tubulin, putative 0.046 0.2733 0.4477
Echinococcus multilocularis expressed conserved protein 0.0186 0.1025 0.1025
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0418 0.2469 0.4067
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0071 0.031 0.261
Schistosoma mansoni tubulin subunit beta 0.0997 0.6073 1
Trichomonas vaginalis tubulin beta chain, putative 0.0562 0.3366 0.5524
Trichomonas vaginalis tubulin epsilon chain, putative 0.0562 0.3366 0.5524
Schistosoma mansoni hypothetical protein 0.0035 0.0086 0.0141
Loa Loa (eye worm) tubulin gamma chain 0.046 0.2733 0.4501
Giardia lamblia Delta tubulin 0.02 0.1113 0.1756
Trichomonas vaginalis tubulin epsilon chain, putative 0.0562 0.3366 0.5524
Echinococcus granulosus metabotropic glutamate receptor 2 0.0108 0.0544 0.0895
Mycobacterium ulcerans lipase LipD 0.0037 0.0098 0.0661
Schistosoma mansoni metabotropic glutamate receptor 0.0063 0.0262 0.0431
Plasmodium falciparum alpha tubulin 2 0.0562 0.3366 0.5502
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0098 0.0119
Echinococcus multilocularis citrate lyase subunit beta protein 0.0025 0.0026 0.0026
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0235 0.1331 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0098 0.0098
Trichomonas vaginalis tubulin gamma chain, putative 0.046 0.2733 0.4477
Leishmania major beta tubulin 0.0997 0.6073 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.006 0.0242 0.0242
Trichomonas vaginalis tubulin alpha chain, putative 0.026 0.149 0.242
Trypanosoma cruzi beta tubulin, putative 0.0997 0.6073 1
Trypanosoma brucei pyruvate kinase 1, putative 0.0065 0.0276 0.0332
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0098 0.0036
Schistosoma mansoni hypothetical protein 0.0166 0.0901 0.1484
Echinococcus granulosus Tubulin beta 2C chain 0.0997 0.6073 1
Echinococcus granulosus tubulin alpha chain 0.0562 0.3366 0.5543
Loa Loa (eye worm) hypothetical protein 0.0053 0.0199 0.0327
Echinococcus multilocularis Tubulin beta 2C chain 0.0997 0.6073 0.6073
Leishmania major beta tubulin 0.0997 0.6073 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.031 0.051
Leishmania major gamma-tubulin 0.046 0.2733 0.4477
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0186 0.0306
Brugia malayi CHE-14 protein 0.0085 0.0397 0.0654
Echinococcus granulosus tubulin epsilon chain 0.046 0.2733 0.4501
Trypanosoma brucei alpha tubulin, putative 0.026 0.149 0.2357
Mycobacterium ulcerans hypothetical protein 0.0037 0.0098 0.0661
Echinococcus granulosus tubulin alpha 1C chain 0.0562 0.3366 0.5543
Echinococcus multilocularis tubulin alpha chain 0.0562 0.3366 0.3366
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0159 0.086 0.086
Echinococcus multilocularis survival motor neuron protein 1 0.0231 0.1309 0.1309
Mycobacterium ulcerans cell division protein FtsZ 0.02 0.1113 1
Schistosoma mansoni tubulin subunit beta 0.0997 0.6073 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.031 0.051
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0071 0.031 0.2174
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0098 0.0119
Loa Loa (eye worm) beta-tubulin 0.0997 0.6073 1
Echinococcus granulosus tubulin alpha chain 0.0562 0.3366 0.5543
Leishmania major alpha tubulin 0.0562 0.3366 0.5524
Loa Loa (eye worm) hypothetical protein 0.0037 0.0098 0.0162
Entamoeba histolytica pyruvate kinase, putative 0.0046 0.0153 0.0127
Schistosoma mansoni pyruvate kinase 0.0065 0.0276 0.0454
Entamoeba histolytica tubulin alpha-1 chain 0.0562 0.3366 0.5486
Echinococcus multilocularis tubulin alpha chain 0.0562 0.3366 0.3366
Toxoplasma gondii peptidylprolyl isomerase 0.0033 0.0077 0.0034
Trypanosoma brucei tubulin delta chain 0.02 0.1113 0.1728
Schistosoma mansoni hypothetical protein 0.0082 0.0378 0.0623
Plasmodium falciparum tubulin delta chain, putative 0.02 0.1113 0.1756
Schistosoma mansoni tubulin subunit alpha 0.0562 0.3366 0.5543
Echinococcus multilocularis tubulin alpha 3 chain 0.0562 0.3366 0.3366
Schistosoma mansoni rotamase 0.0034 0.0082 0.0134
Loa Loa (eye worm) hypothetical protein 0.0037 0.0098 0.0162
Trichomonas vaginalis conserved hypothetical protein 0.0085 0.0397 0.0613
Echinococcus multilocularis tubulin alpha 1C chain 0.0562 0.3366 0.3366
Brugia malayi jmjC domain containing protein 0.0098 0.0481 0.0792
Echinococcus multilocularis pyruvate kinase 0.0052 0.019 0.019
Mycobacterium leprae Probable pyruvate kinase PykA 0.0065 0.0276 0.1749
Echinococcus multilocularis Niemann Pick C1 protein 0.0198 0.1099 0.1099
Plasmodium vivax tubulin gamma chain, putative 0.046 0.2733 0.445
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0098 0.0481 0.0792
Echinococcus multilocularis protein dispatched 1 0.0097 0.0472 0.0472
Loa Loa (eye worm) hypothetical protein 0.0362 0.2123 0.3496
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0186 0.0306
Schistosoma mansoni tubulin subunit alpha 0.02 0.1113 0.1832
Schistosoma mansoni tubulin subunit beta 0.0997 0.6073 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0997 0.6073 0.6073
Leishmania major beta tubulin 0.0997 0.6073 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0071 0.031 0.0389
Trypanosoma cruzi pyruvate kinase 2, putative 0.0065 0.0276 0.0412
Brugia malayi Tubulin alpha-2 chain 0.0562 0.3366 0.5543
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0108 0.0544 0.0544
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0098 0.0162
Loa Loa (eye worm) hypothetical protein 0.0198 0.1099 0.181
Brugia malayi Tubulin beta chain 0.02 0.1113 0.1832
Echinococcus granulosus Tubulin alpha 1 chain 0.0562 0.3366 0.5543
Loa Loa (eye worm) pyruvate kinase 0.0065 0.0276 0.0454
Trichomonas vaginalis tubulin gamma chain, putative 0.02 0.1113 0.1797
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0098 0.0162
Echinococcus granulosus pyruvate kinase 0.0065 0.0276 0.0454
Loa Loa (eye worm) hypothetical protein 0.0037 0.0098 0.0162
Chlamydia trachomatis pyruvate kinase 0.0065 0.0276 1
Leishmania major alpha tubulin 0.0562 0.3366 0.5524
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0098 0.007
Schistosoma mansoni hypothetical protein 0.003 0.0056 0.0092
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0095 0.0157
Loa Loa (eye worm) pyruvate kinase 0.0065 0.0276 0.0454
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0098 0.0551
Giardia lamblia Beta tubulin 0.0997 0.6073 1
Brugia malayi tubulin alpha-2 chain 0.0562 0.3366 0.5543
Echinococcus granulosus Tubulin beta 2C chain 0.0997 0.6073 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0071 0.031 0.261
Schistosoma mansoni microtubule-associated protein tau 0.0675 0.4071 0.6704
Trichomonas vaginalis tubulin beta chain, putative 0.0997 0.6073 1
Schistosoma mansoni tubulin subunit beta 0.0997 0.6073 1
Leishmania major beta tubulin 0.0997 0.6073 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0997 0.6073 0.6073
Plasmodium falciparum acyl-CoA synthetase 0.0053 0.0199 0.0237
Leishmania major beta tubulin 0.0997 0.6073 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0997 0.6073 1
Leishmania major hypothetical protein, conserved 0.0037 0.0098 0.0119
Echinococcus granulosus tubulin alpha 1C chain 0.0562 0.3366 0.5543
Trypanosoma brucei zeta tubulin, putative 0.02 0.1113 0.1728
Echinococcus multilocularis beta tubulin 0.0997 0.6073 0.6073
Echinococcus multilocularis Niemann Pick C1 protein 0.0283 0.1627 0.1627
Echinococcus granulosus tubulin alpha chain 0.0562 0.3366 0.5543
Echinococcus granulosus Tubulin beta 2C chain 0.0997 0.6073 1
Plasmodium vivax tubulin beta chain, putative 0.0997 0.6073 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0997 0.6073 0.6073
Plasmodium falciparum pyruvate kinase 0.0065 0.0276 0.0365
Leishmania major hypothetical protein, conserved 0.0219 0.1232 0.1994
Trichomonas vaginalis tubulin beta chain, putative 0.0562 0.3366 0.5524
Echinococcus multilocularis pyruvate kinase 0.0065 0.0276 0.0276
Echinococcus granulosus beta tubulin 0.0997 0.6073 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0053 0.0199 0.1321
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0098 0.0551
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0034 0.0082 0.0134
Loa Loa (eye worm) pyruvate kinase-PB 0.0046 0.0153 0.0251
Toxoplasma gondii alpha-tubulin I, putative 0.0562 0.3366 0.5502
Loa Loa (eye worm) hypothetical protein 0.0046 0.0153 0.0251
Plasmodium falciparum tubulin gamma chain 0.046 0.2733 0.445
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0071 0.031 0.261
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0071 0.031 0.2174
Brugia malayi Receptor family ligand binding region containing protein 0.0033 0.0076 0.0125
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0098 0.0119
Brugia malayi AMP-binding enzyme family protein 0.0071 0.031 0.051
Plasmodium vivax delta tubulin, putative 0.02 0.1113 0.1756
Brugia malayi Pre-SET motif family protein 0.0418 0.2469 0.4067
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.0255 0.042
Mycobacterium ulcerans pyruvate kinase 0.0065 0.0276 0.2294
Echinococcus granulosus alpha tubulin 0.0562 0.3366 0.5543
Trichomonas vaginalis tubulin beta chain, putative 0.0562 0.3366 0.5524
Trypanosoma brucei epsilon tubulin 0.046 0.2733 0.4431
Loa Loa (eye worm) tubulin alpha 2 0.0362 0.2123 0.3496
Schistosoma mansoni pyruvate kinase 0.0065 0.0276 0.0454
Mycobacterium ulcerans beta-lactamase 0.0037 0.0098 0.0661
Trichomonas vaginalis esterase, putative 0.0037 0.0098 0.0119
Brugia malayi alpha-tubulin 0.0562 0.3366 0.5543
Loa Loa (eye worm) hypothetical protein 0.0159 0.086 0.1417
Trichomonas vaginalis tubulin alpha chain, putative 0.026 0.149 0.242
Trypanosoma cruzi tubulin delta chain 0.02 0.1113 0.1797
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0058 0.0229 0.0376
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0095 0.0157
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0242 0.0399
Echinococcus multilocularis pyruvate kinase 0.0034 0.0078 0.0078
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.02 0.1113 0.1756
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0242 0.0399
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0201 0.1118 0.1842
Echinococcus granulosus tubulin alpha chain 0.0562 0.3366 0.5543
Brugia malayi MH2 domain containing protein 0.0117 0.0596 0.0982
Loa Loa (eye worm) hypothetical protein 0.0104 0.0516 0.085
Trypanosoma cruzi alpha tubulin, putative 0.0562 0.3366 0.5524
Echinococcus granulosus survival motor neuron protein 1 0.0231 0.1309 0.2156
Echinococcus granulosus Protein patched homolog 1 0.0085 0.0397 0.0654
Plasmodium vivax tubulin alpha chain, putative 0.0562 0.3366 0.5502
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.003 0.0056 0.0092
Schistosoma mansoni tubulin subunit beta 0.0997 0.6073 1
Brugia malayi Metabotropic glutamate receptor precursor. 0.0129 0.0674 0.111
Echinococcus granulosus tubulin subunit beta 0.0997 0.6073 1
Trypanosoma brucei beta tubulin 0.0997 0.6073 1
Echinococcus multilocularis tubulin subunit beta 0.0997 0.6073 0.6073
Giardia lamblia Alpha-tubulin 0.0562 0.3366 0.5502
Loa Loa (eye worm) hypothetical protein 0.0065 0.0276 0.0454
Loa Loa (eye worm) tubulin alpha 2 0.0362 0.2123 0.3496
Echinococcus granulosus expressed conserved protein 0.0186 0.1025 0.1687
Echinococcus multilocularis pyruvate kinase 0.0065 0.0276 0.0276
Trypanosoma cruzi hypothetical protein, conserved 0.0219 0.1232 0.1994
Leishmania major 4-coumarate:coa ligase-like protein 0.0071 0.031 0.0469
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.005 0.0181 0.1183
Brugia malayi Pyruvate kinase, M2 isozyme 0.0065 0.0276 0.0454
Loa Loa (eye worm) hypothetical protein 0.0296 0.1709 0.2815
Loa Loa (eye worm) hypothetical protein 0.0562 0.3366 0.5543
Schistosoma mansoni alpha tubulin 0.0562 0.3366 0.5543
Onchocerca volvulus 0.006 0.0242 0.0857
Leishmania major beta tubulin 0.0997 0.6073 1
Leishmania major alpha tubulin 0.0562 0.3366 0.5524
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0098 0.0162
Leishmania major 4-coumarate:coa ligase-like protein 0.0071 0.031 0.0469
Schistosoma mansoni lozenge 0.0054 0.0208 0.0342
Mycobacterium ulcerans hypothetical protein 0.0071 0.031 0.261
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0562 0.3366 0.5524
Onchocerca volvulus 0.0037 0.0098 0.0347
Leishmania major alpha tubulin 0.0562 0.3366 0.5524
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.006 0.0242 0.0242
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0086 0.0141
Onchocerca volvulus 0.0476 0.2829 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.0056 0.0056
Loa Loa (eye worm) hypothetical protein 0.0053 0.0199 0.0327
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0098 0.0481 0.0481
Echinococcus granulosus pyruvate kinase 0.0034 0.0078 0.0128
Brugia malayi beta-lactamase family protein 0.0037 0.0098 0.0162
Loa Loa (eye worm) tubulin beta chain 0.0997 0.6073 1
Toxoplasma gondii ABC1 family protein 0.0037 0.0098 0.007
Echinococcus multilocularis tubulin alpha chain 0.0562 0.3366 0.3366
Trypanosoma cruzi zeta tubulin, putative 0.02 0.1113 0.1797
Schistosoma mansoni hypothetical protein 0.0082 0.0378 0.0623
Plasmodium falciparum pyruvate kinase 2 0.0034 0.0078 0.0036
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0085 0.0397 0.0654
Trichomonas vaginalis tubulin beta chain, putative 0.0562 0.3366 0.5524
Onchocerca volvulus 0.0434 0.2566 0.9072
Loa Loa (eye worm) tubulin beta-2A chain 0.0997 0.6073 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0098 0.0119
Onchocerca volvulus Pyruvate kinase homolog 0.0065 0.0276 0.0974
Entamoeba histolytica acyl-coA synthetase, putative 0.0071 0.031 0.0389
Plasmodium vivax acyl-CoA synthetase, putative 0.0053 0.0199 0.0237
Plasmodium vivax tubulin epsilon chain, putative 0.046 0.2733 0.445
Leishmania major alpha tubulin 0.0562 0.3366 0.5524
Brugia malayi Tubulin alpha chain 0.0562 0.3366 0.5543
Loa Loa (eye worm) tubulin alpha-3 chain 0.0302 0.1746 0.2875
Schistosoma mansoni tubulin subunit beta 0.0997 0.6073 1
Trypanosoma brucei epsilon tubulin 0.046 0.2733 0.4431
Echinococcus multilocularis Tubulin alpha 1 chain 0.0562 0.3366 0.3366
Trypanosoma brucei beta tubulin 0.0997 0.6073 1
Schistosoma mansoni survival motor neuron protein 0.0047 0.0163 0.0268
Brugia malayi beta-lactamase 0.0037 0.0098 0.0162
Echinococcus granulosus tubulin delta chain 0.02 0.1113 0.1832
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0071 0.031 0.2087
Echinococcus granulosus tubulin subunit TubB 0.0562 0.3366 0.5543
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0098 0.0119
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0098 0.0119
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0117 0.0599 0.0986
Brugia malayi Tubulin beta chain 0.026 0.149 0.2453
Trypanosoma brucei beta tubulin 0.0997 0.6073 1
Leishmania major beta tubulin 0.0997 0.6073 1
Echinococcus multilocularis tubulin gamma 1 chain 0.046 0.2733 0.2733
Trichomonas vaginalis tubulin, putative 0.0997 0.6073 1
Loa Loa (eye worm) BEN-1 protein 0.0997 0.6073 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.005 0.0181 0.1183
Schistosoma mansoni tubulin subunit alpha 0.0562 0.3366 0.5543
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0071 0.031 0.261
Brugia malayi jmjC domain containing protein 0.0036 0.0095 0.0157
Echinococcus multilocularis peroxisome assembly protein 26 0.0562 0.3366 0.3366
Echinococcus granulosus citrate lyase subunit beta protein 0.0025 0.0026 0.0043
Trichomonas vaginalis rotamase, putative 0.0034 0.0082 0.0091
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0997 0.6073 0.6073
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0362 0.2123 0.3467
Trichomonas vaginalis tubulin beta chain, putative 0.0562 0.3366 0.5524
Onchocerca volvulus 0.026 0.149 0.5267
Loa Loa (eye worm) alpha-tubulin 0.0562 0.3366 0.5543
Loa Loa (eye worm) glutamate receptor 0.0129 0.0674 0.111
Brugia malayi Pyruvate kinase, muscle isozyme 0.0065 0.0276 0.0454
Brugia malayi hypothetical protein 0.0434 0.2566 0.4226
Loa Loa (eye worm) hypothetical protein 0.0302 0.1746 0.2875
Brugia malayi PHD-finger family protein 0.003 0.0056 0.0092
Schistosoma mansoni patched 1 0.0085 0.0397 0.0654
Schistosoma mansoni hypothetical protein 0.0047 0.0163 0.0268
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0098 0.0551
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0095 0.0157
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0098 0.0551
Schistosoma mansoni pyruvate kinase 0.0034 0.0078 0.0128
Onchocerca volvulus 0.0037 0.0098 0.0347
Echinococcus multilocularis Protein lozenge 0.0054 0.0208 0.0208
Trichomonas vaginalis tubulin epsilon chain, putative 0.02 0.1113 0.1797
Echinococcus multilocularis geminin 0.0166 0.0901 0.0901
Onchocerca volvulus 0.0037 0.0098 0.0347
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0098 0.0119
Loa Loa (eye worm) hypothetical protein 0.0434 0.2566 0.4226
Trichomonas vaginalis tubulin beta-1 chain, putative 0.02 0.1113 0.1797
Brugia malayi beta-lactamase family protein 0.0037 0.0098 0.0162
Echinococcus granulosus expressed protein 0.0034 0.0082 0.0134
Echinococcus granulosus jumonji domain containing protein 0.0042 0.0129 0.0213
Echinococcus granulosus Tubulin beta 2C chain 0.0997 0.6073 1
Echinococcus granulosus Niemann Pick C1 protein 0.0198 0.1099 0.181
Echinococcus granulosus tubulin beta 4A class IVa 0.0997 0.6073 1
Echinococcus granulosus microtubule associated protein 2 0.0675 0.4071 0.6704
Plasmodium falciparum alpha tubulin 1 0.0562 0.3366 0.5502
Echinococcus granulosus geminin 0.0166 0.0901 0.1484
Leishmania major beta tubulin 0.0997 0.6073 1
Leishmania major zeta tubulin, putative 0.02 0.1113 0.1797
Leishmania major beta tubulin 0.0997 0.6073 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0302 0.1746 0.2844
Echinococcus granulosus pyruvate kinase 0.0065 0.0276 0.0454
Trichomonas vaginalis tubulin epsilon chain, putative 0.0997 0.6073 1
Loa Loa (eye worm) tubulin beta-1 chain 0.0997 0.6073 1
Trypanosoma cruzi hypothetical protein, conserved 0.0219 0.1232 0.1994
Mycobacterium tuberculosis Conserved protein 0.0037 0.0098 0.0551
Trypanosoma brucei hypothetical protein, conserved 0.0219 0.1232 0.1927
Plasmodium falciparum tubulin epsilon chain, putative 0.046 0.2733 0.445
Loa Loa (eye worm) hypothetical protein 0.0053 0.0199 0.0327
Trichomonas vaginalis tubulin, putative 0.026 0.149 0.242
Toxoplasma gondii beta-tubulin, putative 0.0997 0.6073 1
Giardia lamblia Pyruvate kinase 0.0034 0.0078 0.0036
Onchocerca volvulus Pyruvate kinase homolog 0.0065 0.0276 0.0974
Leishmania major pyruvate kinase 0.0065 0.0276 0.0412
Trichomonas vaginalis tubulin alpha chain, putative 0.026 0.149 0.242
Trichomonas vaginalis pyruvate kinase, putative 0.0065 0.0276 0.0412
Leishmania major delta tubulin, putative 0.02 0.1113 0.1797
Loa Loa (eye worm) alpha-tubulin 0.0562 0.3366 0.5543
Trypanosoma brucei pyruvate kinase 1 0.0065 0.0276 0.0332
Leishmania major alpha tubulin 0.0562 0.3366 0.5524
Loa Loa (eye worm) tubulin alpha 2 0.0102 0.0502 0.0827
Brugia malayi Bromodomain containing protein 0.003 0.0056 0.0092
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0065 0.0276 0.1911
Treponema pallidum cell division protein FtsZ 0.02 0.1113 0.5
Echinococcus multilocularis pyruvate kinase 0.0034 0.0078 0.0078
Echinococcus multilocularis tubulin alpha chain 0.0562 0.3366 0.3366
Leishmania major alpha tubulin 0.0562 0.3366 0.5524
Leishmania major beta tubulin 0.0997 0.6073 1
Echinococcus multilocularis tubulin alpha 0.046 0.2733 0.2733
Trypanosoma cruzi pyruvate kinase 2, putative 0.0065 0.0276 0.0412
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0033 0.0077 0.0083
Schistosoma mansoni metabotropic glutamate receptor 0.0108 0.0544 0.0895
Echinococcus multilocularis Tubulin alpha 1 chain 0.0562 0.3366 0.3366
Mycobacterium tuberculosis Cell division protein FtsZ 0.02 0.1113 0.833
Echinococcus multilocularis tubulin beta 1 chain 0.0997 0.6073 0.6073
Toxoplasma gondii pyruvate kinase PyKII 0.0034 0.0078 0.0036
Trypanosoma brucei zeta tubulin 0.02 0.1113 0.1728
Schistosoma mansoni alpha tubulin 0.0562 0.3366 0.5543
Trichomonas vaginalis conserved hypothetical protein 0.02 0.1113 0.1797
Trichomonas vaginalis conserved hypothetical protein 0.02 0.1113 0.1797
Brugia malayi Tubulin beta-1 chain 0.0997 0.6073 1
Echinococcus granulosus histone lysine methyltransferase setb 0.006 0.0242 0.0399
Loa Loa (eye worm) hypothetical protein 0.003 0.0056 0.0092
Echinococcus multilocularis expressed protein 0.0034 0.0082 0.0082
Schistosoma mansoni hypothetical protein 0.0082 0.0378 0.0623
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0186 0.0306
Echinococcus granulosus tubulin beta 1 chain 0.0997 0.6073 1
Giardia lamblia Alpha-tubulin 0.0562 0.3366 0.5502
Trypanosoma brucei alpha tubulin 0.0562 0.3366 0.5486
Onchocerca volvulus 0.0071 0.031 0.1096
Trichomonas vaginalis tubulin, putative 0.026 0.149 0.242
Mycobacterium leprae cell division protein FtsZ 0.02 0.1113 1
Leishmania major pyruvate kinase 0.0065 0.0276 0.0412
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.046 0.2733 0.445
Echinococcus granulosus metabotropic glutamate receptor 5 0.0159 0.086 0.1417
Leishmania major alpha tubulin 0.0562 0.3366 0.5524
Loa Loa (eye worm) hypothetical protein 0.0051 0.0189 0.0312
Echinococcus multilocularis Tubulin alpha 1 chain 0.0562 0.3366 0.3366
Plasmodium falciparum tubulin beta chain 0.0997 0.6073 1
Echinococcus multilocularis microtubule associated protein 2 0.0675 0.4071 0.4071
Loa Loa (eye worm) BEN-1 protein 0.0997 0.6073 1
Leishmania major beta tubulin 0.0997 0.6073 1
Trichomonas vaginalis set domain proteins, putative 0.0476 0.2829 0.4635
Entamoeba histolytica acyl-CoA synthetase, putative 0.0071 0.031 0.0389
Loa Loa (eye worm) hypothetical protein 0.0053 0.0199 0.0327
Toxoplasma gondii pyruvate kinase PyK1 0.0065 0.0276 0.0365

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 1 uM Transactivation of human PPARgamma expressed in human HEK293 cells assessed as concentration required for maximum activity after 16 to 20 hrs by dual luciferase beta-galactosidase reporter gene assay ChEMBL. 23022278
EC50 (binding) = 12 nM Transactivation of human PPARgamma expressed in human HEK293 cells after 16 to 20 hrs by dual luciferase beta-galactosidase reporter gene assay ChEMBL. 23022278

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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