Detailed information for compound 1533196

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 691.256 | Formula: C38H47ClN4O6
  • H donors: 2 H acceptors: 3 LogP: 4.69 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1cc(CNC(=O)C[C@H]2C[C@H](C(=O)N3CCOCC3)[C@@]3(N(C2=O)CCc2c3[nH]c3c2cc(cc3)Cl)CCC2CCCC2)ccc1OC
  • InChi: 1S/C38H47ClN4O6/c1-47-32-10-7-25(19-33(32)48-2)23-40-34(44)21-26-20-30(37(46)42-15-17-49-18-16-42)38(13-11-24-5-3-4-6-24)35-28(12-14-43(38)36(26)45)29-22-27(39)8-9-31(29)41-35/h7-10,19,22,24,26,30,41H,3-6,11-18,20-21,23H2,1-2H3,(H,40,44)/t26-,30-,38+/m1/s1
  • InChiKey: ZUVAKKWOACBDNT-UBPSGZLKSA-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 SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens fatty acid synthase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium tuberculosis Probable polyketide synthase Pks9 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium ulcerans polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas Get druggable targets OG5_126633 All targets in OG5_126633
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks1 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Cryptosporidium parvum type I fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsB Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii type I fatty acid synthase, putative Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsE Get druggable targets OG5_126633 All targets in OG5_126633
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium tuberculosis Polyketide synthase Pks12 Get druggable targets OG5_126633 All targets in OG5_126633
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC Get druggable targets OG5_126633 All targets in OG5_126633
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks15 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Polyketide synthase Pks2 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii type I fatty acid synthase, putative Get druggable targets OG5_126633 All targets in OG5_126633
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks3 Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Neospora caninum Soraphen polyketide synthase A, related Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii type I fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii AMP-binding enzyme domain-containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum Short-chain dehydrogenase/reductase SDR, related Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Onchocerca volvulus Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks7 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Pks9 Get druggable targets OG5_126633 All targets in OG5_126633
Onchocerca volvulus Fatty acid synthase homolog Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae Polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) acyl carrier protein Get druggable targets OG5_126633 All targets in OG5_126633
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae Probable polyketide synthase Pks1 Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks4 Get druggable targets OG5_126633 All targets in OG5_126633
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium leprae PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks5 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium parvum polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks8 Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum KR domain domain-containing protein, putative Get druggable targets OG5_126633 All targets in OG5_126633
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
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0024 0.0786 0.172
Mycobacterium ulcerans polyketide synthase Pks13 0.0045 0.2072 1
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0025 0.0811 0.3792
Echinococcus granulosus jumonji domain containing 1A 0.0027 0.0942 0.0498
Mycobacterium ulcerans polyketide synthase 0.0032 0.1266 0.481
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0027 0.0942 0.6413
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0015 0.0228 0.1555
Schistosoma mansoni jumonji domain containing protein 0.0027 0.0942 0.1104
Echinococcus granulosus peregrin 0.0035 0.1469 0.1051
Loa Loa (eye worm) hypothetical protein 0.006 0.3018 0.367
Brugia malayi MH2 domain containing protein 0.0144 0.8223 0.8223
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1838 0.1838
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.003 0.115 0.5463
Brugia malayi AMP-binding enzyme family protein 0.0028 0.1028 0.1028
Schistosoma mansoni jumonji/arid domain-containing protein 0.01 0.5494 0.644
Echinococcus granulosus jumonji domain containing protein 0.0049 0.2324 0.1947
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0032 0.1266 0.481
Brugia malayi jmjC domain containing protein 0.01 0.5494 0.5494
Brugia malayi Bromodomain containing protein 0.0035 0.1469 0.1469
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.115 0.4065
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0032 0.1266 0.481
Schistosoma mansoni hypothetical protein 0.0019 0.0467 0.0548
Schistosoma mansoni hypothetical protein 0.0035 0.1469 0.1722
Brugia malayi jmjC domain containing protein 0.0027 0.0942 0.0942
Onchocerca volvulus 0.0052 0.253 0.9285
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0028 0.1028 0.4861
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.3793 0.4612
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.1469 1
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.115 0.5463
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.8223 1
Schistosoma mansoni jumonji domain containing protein 0.0149 0.8531 1
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0028 0.1028 0.125
Brugia malayi PHD-finger family protein 0.0035 0.1469 0.1469
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.003 0.115 0.4065
Leishmania major hypothetical protein, conserved 0.0027 0.0942 0.5
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.1266 0.6033
Loa Loa (eye worm) acyl carrier protein 0.0014 0.0144 0.0175
Loa Loa (eye worm) hypothetical protein 0.0027 0.0942 0.1146
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0057 0.2819 0.2819
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.1469 0.1786
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0467 0.0568
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0045 0.2072 1
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0017 0.0346 0.1505
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0027 0.0942 0.0498
Echinococcus granulosus JmjC domain containing protein 4 0.0027 0.0942 0.0498
Schistosoma mansoni phd/f-box containing protein 0.0027 0.0942 0.1104
Onchocerca volvulus Fatty acid synthase homolog 0.0054 0.2646 1
Brugia malayi jmjC domain containing protein 0.0027 0.0942 0.0942
Loa Loa (eye worm) hypothetical protein 0.0017 0.0331 0.0402
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.003 0.115 0.5463
Entamoeba histolytica hypothetical protein 0.0043 0.198 0.5
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0029 0.1093 0.5182
Plasmodium falciparum JmjC domain-containing protein, putative 0.0027 0.0942 0.6413
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0022 0.0625 0.288
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0027 0.0942 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.3979 0.4839
Loa Loa (eye worm) hypothetical protein 0.0035 0.1469 0.1786
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.115 0.4065
Echinococcus granulosus lysine specific demethylase 5A 0.01 0.5494 0.5273
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0032 0.1266 0.6033
Schistosoma mansoni hypothetical protein 0.0019 0.0467 0.0548
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0173 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.3018 0.367
Mycobacterium ulcerans thioesterase 0.0025 0.084 0.2064
Echinococcus granulosus phd:f box containing protein 0.0027 0.0942 0.0498
Loa Loa (eye worm) hypothetical protein 0.0019 0.0467 0.0568
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0027 0.0942 0.1104
Echinococcus multilocularis phd:f box containing protein 0.0027 0.0942 0.0498
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.3018 0.3018
Schistosoma mansoni hypothetical protein 0.0043 0.198 0.2321
Loa Loa (eye worm) hypothetical protein 0.0051 0.2417 0.2939
Brugia malayi jmjC domain containing protein 0.0027 0.0942 0.0942
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.1469 0.1722
Plasmodium falciparum phd finger protein, putative 0.0035 0.1469 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0942 0.1146
Loa Loa (eye worm) jmjC domain-containing protein 0.01 0.5494 0.6681
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.2324 0.1947
Echinococcus multilocularis jumonji domain containing 1A 0.0027 0.0942 0.0498
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.1469 0.1051
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0032 0.1266 0.6033
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.115 0.4065
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.198 0.2321
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.115 0.4065
Mycobacterium leprae Probable polyketide synthase Pks1 0.0032 0.1266 0.481
Echinococcus multilocularis lysine specific demethylase 6a 0.0027 0.0942 0.0498
Plasmodium vivax hypothetical protein, conserved 0.0035 0.1469 1
Entamoeba histolytica hypothetical protein 0.0043 0.198 0.5
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0029 0.1093 0.5182
Loa Loa (eye worm) jmjC domain-containing protein 0.0027 0.0942 0.1146
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0467 0.0467
Loa Loa (eye worm) jmjC domain-containing protein 0.0027 0.0942 0.1146
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0027 0.0942 0.0498
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.8223 1
Schistosoma mansoni hypothetical protein 0.0041 0.1838 0.2154
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0027 0.0942 0.5
Onchocerca volvulus Alhambra homolog 0.0035 0.1469 0.2727
Schistosoma mansoni phosphatidylserine receptor 0.0027 0.0942 0.1104
Loa Loa (eye worm) jmjC domain-containing protein 0.0027 0.0942 0.1146
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.002 0.0496 0.3373
Mycobacterium leprae Polyketide synthase Pks13 0.0045 0.2072 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.1838 0.2235
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.1469 0.1051
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.003 0.115 0.4065
Mycobacterium ulcerans polyketide synthase 0.003 0.115 0.4065
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.198 0.1586
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.1266 0.481
Schistosoma mansoni hypothetical protein 0.0019 0.0467 0.0548
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.003 0.115 0.115
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.1469 1
Toxoplasma gondii type I fatty acid synthase, putative 0.0021 0.0613 0.4174
Echinococcus multilocularis lysine specific demethylase 5A 0.01 0.5494 0.5273
Schistosoma mansoni hypothetical protein 0.0019 0.0467 0.0548
Schistosoma mansoni jumonji/arid domain-containing protein 0.01 0.5494 0.644
Loa Loa (eye worm) fatty acid synthase 0.003 0.1125 0.1369
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0027 0.0942 0.5
Brugia malayi jmjC domain containing protein 0.0027 0.0942 0.0942
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0025 0.084 0.2064
Mycobacterium ulcerans thioesterase TesA 0.0025 0.084 0.2064
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0467 0.0467
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0032 0.1266 0.481
Entamoeba histolytica hypothetical protein 0.0043 0.198 0.5
Echinococcus multilocularis JmjC domain containing protein 4 0.0027 0.0942 0.0498
Brugia malayi hypothetical protein 0.0043 0.198 0.198
Echinococcus multilocularis peregrin 0.0035 0.1469 0.1051
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0024 0.0786 0.172
Giardia lamblia PHD finger protein 15 0.0035 0.1469 0.5
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0027 0.0942 0.6413
Echinococcus granulosus lysine specific demethylase 6a 0.0027 0.0942 0.0498
Toxoplasma gondii type I fatty acid synthase, putative 0.0032 0.1266 0.8617
Mycobacterium tuberculosis Probable thioesterase TesA 0.0025 0.084 0.3934
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.198 0.1586
Entamoeba histolytica hypothetical protein 0.0043 0.198 0.5
Plasmodium vivax JmjC domain containing protein 0.0027 0.0942 0.6413
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.3018 0.3018
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0045 0.2072 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0173 1 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0024 0.0786 0.172
Schistosoma mansoni protein phosphatase 2C 0.0027 0.0942 0.1104

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 0.878 uM PubChem BioAssay. Dose response confirmation of small molecule inhibitors of the thioesterase domain of fatty acid synthase via a kinetic, fluorescence intensity assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 1.71 uM PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits of the thioesterase domain of fatty acid synthase via a fluorescence intensity assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.5849 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.7783 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) 4.6109 uM PubChem BioAssay. qHTS for Inhibitors of TGF-b: Confirmation of Cherry Picks. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.1735 uM PubChem BioAssay. qHTS for Inhibitors of TGF-b: CCL64 Cells Orthogonal Assay for Cherry Picks. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.5131 uM PubChem BioAssay. qHTS for Inhibitors of TGF-b: Hit Validation in HepG2 Cells using COP promoter. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.9953 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] 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
Potency (functional) 23.0999 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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