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  


Substructure search Similarity search

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

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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