Detailed information for compound 1240620

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 483.479 | Formula: C27H24F3NO4
  • H donors: 0 H acceptors: 2 LogP: 6.02 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)[C@]1(C=C[C@@H]([C@H](N1C(=O)C(F)(F)F)c1ccccc1)C)Cc1ccccc1c1ccco1
  • InChi: 1S/C27H24F3NO4/c1-18-14-15-26(25(33)34-2,17-20-11-6-7-12-21(20)22-13-8-16-35-22)31(24(32)27(28,29)30)23(18)19-9-4-3-5-10-19/h3-16,18,23H,17H2,1-2H3/t18-,23-,26-/m0/s1
  • InChiKey: IDUGQJRJVUWLAW-WMDMVVLCSA-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
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129301 All targets in OG5_129301
Onchocerca volvulus Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus granulosus L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Cryptosporidium hominis proteinx0005 Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus multilocularis L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum expressed protein Get druggable targets OG5_129301 All targets in OG5_129301
Cryptosporidium parvum phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum ko:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase Get druggable targets OG5_129301 All targets in OG5_129301
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Entamoeba histolytica hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 198 aa 28.3 %
Onchocerca volvulus 4'-phosphopantetheinyl transferase ffp   224 aa 186 aa 26.3 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Trichomonas vaginalis conserved hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 197 aa 22.3 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus lysine specific demethylase 6a 0.0038 0.0141 0.0237
Echinococcus multilocularis lysine specific demethylase 5A 0.0197 0.1988 0.3335
Loa Loa (eye worm) hypothetical protein 0.0036 0.0111 0.0144
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0032 0.0064 0.3782
Echinococcus multilocularis peptidase Clp (S14 family) 0.0059 0.038 0.0638
Echinococcus granulosus cpg binding protein 0.0048 0.026 0.0436
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0059 0.038 0.2256
Onchocerca volvulus 0.0052 0.0295 0.0334
Toxoplasma gondii PHD-finger domain-containing protein 0.0097 0.082 0.8376
Toxoplasma gondii hypothetical protein 0.0026 0.0004 0.0012
Plasmodium vivax hypothetical protein, conserved 0.0033 0.0086 0.1004
Echinococcus granulosus SAM and MBT domain containing protein 0.0398 0.432 0.725
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0303 0.0392
Trichomonas vaginalis chromobox protein, putative 0.006 0.0395 0.0448
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0031 0.0056 0.0198
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0038 0.0141 0.0141
Schistosoma mansoni cpg binding protein 0.0031 0.0053 0.0053
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0164 0.16 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0097 0.082 0.1376
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0329 0.3514 0.4551
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0032 0.0068 0.0077
Schistosoma mansoni myelin transcription factor 1 myt1 0.0099 0.0848 0.0848
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0336 0.3592 1
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.0033 0.0086 0.1011
Brugia malayi jmjC domain containing protein 0.0343 0.368 0.4766
Loa Loa (eye worm) MBCTL1 0.0099 0.0848 0.1099
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0032 0.0068 0.0077
Trichomonas vaginalis chromobox protein, putative 0.006 0.0395 0.0448
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0343 0.368 0.6176
Echinococcus multilocularis chromobox protein 1 0.0092 0.0764 0.1281
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0303 0.0392
Echinococcus multilocularis polycomb protein SCMH1 0.0275 0.2889 0.4848
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0467 0.0467
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.0116 0.0131
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0055 0.0092
Giardia lamblia PHD finger protein 15 0.0097 0.082 0.2283
Echinococcus granulosus Sterile alpha motif SAM 0.0026 0.000000048163 0.000000080819
Schistosoma mansoni jumonji domain containing protein 0.0278 0.2925 0.2925
Schistosoma mansoni hypothetical protein 0.0097 0.082 0.082
Brugia malayi Heterochromatin protein 1 0.0092 0.0764 0.0989
Onchocerca volvulus 0.0035 0.0105 0.0119
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.007 0.0506 0.3057
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0467 0.0467
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.0356 0.0403
Plasmodium vivax hypothetical protein, conserved 0.0097 0.082 0.9595
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.0506 0.0506
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0038 0.0141 0.8315
Loa Loa (eye worm) hypothetical protein 0.0038 0.0141 0.0183
Echinococcus multilocularis SAM and MBT domain containing protein 0.0398 0.432 0.725
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.009 0.0739 0.7547
Brugia malayi hypothetical protein 0.0026 0.000000048163 0.000000062375
Loa Loa (eye worm) TAR-binding protein 0.0066 0.0467 0.0604
Loa Loa (eye worm) hypothetical protein 0.0052 0.0303 0.0392
Onchocerca volvulus 0.0125 0.1145 0.1297
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.009 0.0739 0.4536
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.01 0.0855 0.1434
Echinococcus multilocularis histone acetyltransferase myst3 0.0044 0.0207 0.0347
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0043 0.0194 0.0325
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.0506 0.3057
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0253 0.0424
Loa Loa (eye worm) hypothetical protein 0.0049 0.0271 0.0351
Echinococcus granulosus survival motor neuron protein 1 0.0253 0.263 0.4412
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0116 0.0131
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0028 0.0025 0.0222
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0099 0.0848 0.1099
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0099 0.0848 0.1424
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.017 0.3306
Brugia malayi RNA, U transporter 1 0.0088 0.0714 0.0925
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.003 0.0035
Echinococcus granulosus chromobox protein 2 0.0217 0.2217 0.3719
Echinococcus granulosus peregrin 0.0097 0.082 0.1376
Toxoplasma gondii histone lysine methyltransferase SET1 0.0062 0.0414 0.4213
Treponema pallidum fructose-bisphosphate aldolase 0.0336 0.3592 1
Schistosoma mansoni cpg binding protein 0.0048 0.026 0.026
Schistosoma mansoni hypothetical protein 0.0032 0.0064 0.0064
Toxoplasma gondii PHD-finger domain-containing protein 0.0097 0.082 0.8376
Loa Loa (eye worm) jmjC domain-containing protein 0.02 0.2016 0.2611
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0028 0.0025 0.0265
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0125 0.1145 0.1145
Echinococcus granulosus phd:f box containing protein 0.0038 0.0141 0.0237
Brugia malayi F/Y-rich N-terminus family protein 0.0061 0.0402 0.052
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.009 0.0739 0.4536
Loa Loa (eye worm) hypothetical protein 0.0097 0.082 0.1062
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.1147 0.1486
Echinococcus granulosus jumonji domain containing 1A 0.0038 0.0141 0.0237
Loa Loa (eye worm) CHromoDomain protein family member 0.0043 0.0194 0.0251
Toxoplasma gondii hypothetical protein 0.0031 0.0056 0.0542
Echinococcus granulosus importin subunit beta 1 0.0031 0.0055 0.0092
Echinococcus multilocularis jumonji domain containing 1A 0.0038 0.0141 0.0237
Echinococcus granulosus tar DNA binding protein 0.0066 0.0467 0.0783
Plasmodium vivax JmjC domain containing protein 0.0061 0.0409 0.4784
Loa Loa (eye worm) jmjC domain-containing protein 0.0261 0.2722 0.3526
Loa Loa (eye worm) hypothetical protein 0.0035 0.0105 0.0136
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0031 0.0056 0.0088
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0303 0.0392
Brugia malayi MH2 domain containing protein 0.0125 0.1147 0.1486
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0032 0.0068 0.0077
Schistosoma mansoni inositol monophosphatase 0.0041 0.017 0.017
Echinococcus multilocularis peregrin 0.0097 0.082 0.1376
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.0863 0.1447
Loa Loa (eye worm) PHD-finger family protein 0.0097 0.082 0.1062
Echinococcus granulosus chromobox protein 1 0.0092 0.0764 0.1281
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0116 0.2231
Brugia malayi TAR-binding protein 0.0066 0.0467 0.0604
Schistosoma mansoni chromobox protein 0.0092 0.0764 0.0764
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0041 0.017 0.0406
Schistosoma mansoni alpha-glucosidase 0.014 0.132 0.132
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.011 0.0978 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0041 0.017 0.1705
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.009 0.0739 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.000000048163 0.000000062375
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0041 0.017 0.0919
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0253 0.0327
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0151 0.1451 0.2434
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0032 0.0064 0.3782
Toxoplasma gondii PLU-1 family protein 0.0045 0.0225 0.2272
Trichomonas vaginalis chromobox protein, putative 0.0092 0.0764 0.0865
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.009 0.0739 0.2003
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0116 0.0131
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0116 0.015
Echinococcus granulosus peptidase Clp S14 family 0.0059 0.038 0.0638
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.0506 0.3057
Onchocerca volvulus 0.0787 0.8829 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0069 0.0495 0.0495
Schistosoma mansoni jumonji domain containing protein 0.0038 0.0141 0.0141
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0066 0.0074
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0336 0.3592 0.4068
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0116 0.0194
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0043 0.0194 0.0325
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.0116 0.0131
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.017 1
Schistosoma mansoni alpha-glucosidase 0.014 0.132 0.132
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0336 0.3592 0.4068
Echinococcus multilocularis survival motor neuron protein 1 0.0253 0.263 0.4412
Loa Loa (eye worm) tnks protein 0.0026 0.000000048163 0.000000062375
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0398 0.432 0.432
Loa Loa (eye worm) inositol-1 0.0041 0.017 0.022
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0253 0.0424
Schistosoma mansoni peptidase Clp (S14 family) 0.009 0.0739 0.0739
Echinococcus granulosus tumor suppressor p53 binding protein 1 0.0339 0.3628 0.6089
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0055 0.0527
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0336 0.3592 0.4068
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0116 0.0194
Plasmodium vivax importin-beta 2, putative 0.0031 0.0055 0.064
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.009 0.0739 1
Schistosoma mansoni chromobox protein 0.0217 0.2217 0.2217
Schistosoma mansoni cpg binding protein 0.0048 0.026 0.026
Brugia malayi Cytochrome P450 family protein 0.0045 0.0221 0.0286
Brugia malayi chromobox protein homolog 3 0.0057 0.0356 0.0461
Schistosoma mansoni hypothetical protein 0.0052 0.0295 0.0295
Brugia malayi Importin beta-1 subunit 0.0031 0.0055 0.0071
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0336 0.3592 0.4068
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0467 0.0467
Brugia malayi RNA binding protein 0.0066 0.0467 0.0604
Schistosoma mansoni phd finger protein 0.0044 0.0207 0.0207
Echinococcus multilocularis chromobox protein 2 0.0217 0.2217 0.3719
Trypanosoma brucei hypothetical protein, conserved 0.0028 0.0025 0.1468
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0116 0.015
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0099 0.0848 0.1424
Loa Loa (eye worm) heterochromatin protein 1 0.0092 0.0764 0.0989
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0116 0.0131
Brugia malayi Shank2E 0.0026 0.000000048163 0.000000062375
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0111 0.0144
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0036 0.012 0.0604
Brugia malayi CHD4 protein 0.0043 0.0194 0.0251
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0253 0.0253
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0032 0.0068 0.0077
Loa Loa (eye worm) RNA binding protein 0.0066 0.0467 0.0604
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0116 0.6812
Loa Loa (eye worm) hypothetical protein 0.0026 0.0003 0.0004
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0095 0.0805 0.135
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.007 0.0506 0.085
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.0863 0.0863
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0065 0.0448 0.4564
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0164 0.16 1
Schistosoma mansoni phosphatidylserine receptor 0.0038 0.0141 0.0141
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0028 0.0025 0.0222
Echinococcus granulosus histone lysine methyltransferase setb 0.01 0.0855 0.1434
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0003 0.0038
Echinococcus multilocularis lysosomal alpha glucosidase 0.0162 0.1583 0.2656
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0097 0.082 0.082
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0057 0.0356 0.0403
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.1147 0.1486
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0032 0.0068 0.0077
Onchocerca volvulus 0.0026 0.000000048163 0.000000054551
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.007 0.0506 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0253 0.0424
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.009 0.0739 0.8649
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0055 0.3224
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0059 0.038 0.2256
Trichomonas vaginalis inositol monophosphatase, putative 0.0041 0.017 0.0192
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0038 0.0141 0.8315
Echinococcus multilocularis histone acetyltransferase MYST2 0.0099 0.0848 0.1424
Echinococcus multilocularis JmjC domain containing protein 4 0.0038 0.0141 0.0237
Loa Loa (eye worm) hypothetical protein 0.01 0.0855 0.1107
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0066 0.0074
Loa Loa (eye worm) hypothetical protein 0.01 0.0863 0.1117
Brugia malayi CXXC zinc finger family protein 0.0031 0.0053 0.0069
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0028 0.0025 0.0028
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0253 0.0327
Schistosoma mansoni chromobox protein 0.0092 0.0764 0.0764
Echinococcus granulosus inositol monophosphatase 1 0.0041 0.017 0.0285
Echinococcus granulosus histone acetyltransferase MYST2 0.0099 0.0848 0.1424
Onchocerca volvulus Tankyrase homolog 0.0026 0.000000048163 0.000000054551
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.01 0.0855 0.0855
Brugia malayi Probable ClpP-like protease 0.009 0.0739 0.0957
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.0506 0.0506
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0336 0.3592 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.01 0.0855 0.1434
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.01 0.0855 0.0855
Schistosoma mansoni jumonji/arid domain-containing protein 0.0215 0.2195 0.2195
Loa Loa (eye worm) cytochrome P450 family protein 0.0045 0.0221 0.0286
Echinococcus multilocularis Sterile alpha motif SAM 0.0026 0.000000048163 0.000000080819
Brugia malayi PHD-finger family protein 0.0049 0.0271 0.0351
Brugia malayi hypothetical protein 0.0026 0.0003 0.0004
Echinococcus granulosus chromobox protein 1 0.0092 0.0764 0.1281
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0003 0.0192
Onchocerca volvulus 0.0026 0.000000048163 0.000000054551
Brugia malayi PHD-finger family protein 0.0097 0.082 0.1062
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0032 0.0068 0.0077
Onchocerca volvulus 0.0026 0.000000048163 0.000000054551
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.007 0.0506 0.085
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.0863 0.1447
Plasmodium vivax SET domain protein, putative 0.01 0.0855 1
Onchocerca volvulus Alhambra homolog 0.0097 0.082 0.0929
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0064 0.0624
Leishmania major phosphopantetheinyl transferase-like protein 0.0028 0.0025 0.043
Schistosoma mansoni sex comb on midleg homolog 0.0275 0.2889 0.2889
Schistosoma mansoni protein phosphatase 2C 0.0038 0.0141 0.0141
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0116 0.1151
Echinococcus multilocularis PHD finger protein rhinoceros 0.0097 0.082 0.1376
Loa Loa (eye worm) hypothetical protein 0.0038 0.0141 0.0183
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.009 0.0739 0.4536
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0038 0.0141 0.1412
Schistosoma mansoni hypothetical protein 0.0329 0.3514 0.3514
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.017 0.0192
Brugia malayi AF-10 protein 0.0032 0.0064 0.0083
Schistosoma mansoni jumonji/arid domain-containing protein 0.0215 0.2195 0.2195
Echinococcus granulosus jumonji domain containing protein 0.0135 0.126 0.2114
Brugia malayi mbt repeat family protein 0.0473 0.5189 0.672
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0253 0.0424
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0253 0.0253
Echinococcus multilocularis tumor suppressor p53 binding protein 1 0.0339 0.3628 0.6089
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.017 0.0192
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0059 0.038 0.2256
Echinococcus granulosus lysine specific demethylase 5A 0.0215 0.2195 0.3682
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.017 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0343 0.368 0.6176
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.009 0.0739 1
Schistosoma mansoni alpha glucosidase 0.0036 0.0116 0.0116
Brugia malayi AIDA-1b 0.0026 0.000000048163 0.000000062375
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.0295 0.0382
Toxoplasma gondii aldehyde dehydrogenase 0.007 0.0506 0.5158
Schistosoma mansoni importin beta-1 0.0031 0.0055 0.0055
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.009 0.0739 0.124
Echinococcus multilocularis jumonji domain containing protein 0.0135 0.126 0.2114
Loa Loa (eye worm) hypothetical protein 0.0057 0.0356 0.0461
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.009 0.0739 0.124
Brugia malayi jmjC domain containing protein 0.0038 0.0141 0.0183
Loa Loa (eye worm) AIDA-1b 0.0026 0.000000048163 0.000000062375
Onchocerca volvulus 0.01 0.0863 0.0977
Brugia malayi mbt repeat family protein 0.0286 0.3019 0.391
Brugia malayi SET domain containing protein 0.0029 0.0037 0.0048
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.0356 0.0403
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0029 0.003 0.0035
Loa Loa (eye worm) hypothetical protein 0.0099 0.0848 0.1099
Schistosoma mansoni inositol monophosphatase 0.0041 0.017 0.017
Onchocerca volvulus 0.0031 0.0053 0.006
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0336 0.3592 0.4068
Onchocerca volvulus Heterochromatin protein 1 homolog 0.006 0.0395 0.0448
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0116 0.0254
Plasmodium falciparum phd finger protein, putative 0.0097 0.082 1
Echinococcus multilocularis lysine specific demethylase 6a 0.0038 0.0141 0.0237
Echinococcus granulosus snurportin 1 0.0329 0.3514 0.5897
Echinococcus multilocularis inositol monophosphatase 1 0.0041 0.017 0.0285
Echinococcus granulosus JmjC domain containing protein 4 0.0038 0.0141 0.0237
Trichomonas vaginalis chromobox protein, putative 0.0092 0.0764 0.0865
Loa Loa (eye worm) hypothetical protein 0.0173 0.1704 0.2207
Echinococcus granulosus lysosomal alpha glucosidase 0.0162 0.1583 0.2656
Brugia malayi Glycosyl hydrolases family 31 protein 0.0162 0.1583 0.205
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0539 0.5959 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.017 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0116 0.0254
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0053 0.0069
Loa Loa (eye worm) hypothetical protein 0.009 0.0739 0.0957
Brugia malayi jmjC domain containing protein 0.0038 0.0141 0.0183
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0116 0.0131
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0164 0.16 1
Echinococcus granulosus histone acetyltransferase myst3 0.0044 0.0207 0.0347
Echinococcus granulosus polycomb protein SCMH1 0.0275 0.2889 0.4848
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0336 0.3592 0.4068
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.009 0.0739 0.901
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0032 0.0068 0.0077
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0151 0.1451 0.2434
Schistosoma mansoni sex comb on midleg homolog 0.0275 0.2889 0.2889
Echinococcus multilocularis lysosomal alpha glucosidase 0.0162 0.1583 0.2656
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0043 0.0195 0.0195
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.0506 0.3057
Giardia lamblia Fructose-bisphosphate aldolase 0.0336 0.3592 1
Brugia malayi hypothetical protein 0.0253 0.263 0.3405
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.0467 0.0604
Trypanosoma brucei glucosidase, putative 0.0036 0.0116 0.6812
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0336 0.3592 0.4068
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0003 0.0192
Leishmania major hypothetical protein, conserved 0.0038 0.0141 0.2738
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0031 0.0056 0.0647
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0038 0.0141 0.8315
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.0467 0.0604
Brugia malayi Pre-SET motif family protein 0.01 0.0855 0.1107
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0467 0.0467
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.01 0.0855 0.0855
Echinococcus multilocularis phd:f box containing protein 0.0038 0.0141 0.0237
Schistosoma mansoni hypothetical protein 0.0036 0.0111 0.0111
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0036 0.012 0.0604
Loa Loa (eye worm) jmjC domain-containing protein 0.0038 0.0141 0.0183
Plasmodium falciparum importin beta, putative 0.0031 0.0055 0.0629
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.0032 0.0064 0.0624
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0043 0.0194 0.0194
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0116 0.6812
Echinococcus multilocularis chromobox protein 1 0.0092 0.0764 0.1281
Onchocerca volvulus 0.0094 0.0788 0.0892
Plasmodium falciparum JmjC domain-containing protein, putative 0.0061 0.0409 0.4966
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0031 0.0056 0.0657
Brugia malayi Inositol-1 0.0041 0.017 0.022
Schistosoma mansoni survival motor neuron protein 0.0052 0.0295 0.0295
Brugia malayi jmjC domain containing protein 0.0038 0.0141 0.0183
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0003 0.0192
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0253 0.0253
Schistosoma mansoni phd/f-box containing protein 0.0038 0.0141 0.0141
Onchocerca volvulus 0.0026 0.000000048163 0.000000054551
Brugia malayi Bromodomain containing protein 0.0097 0.082 0.1062
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0473 0.5189 0.5877
Brugia malayi jmjC domain containing protein 0.0038 0.0141 0.0183
Loa Loa (eye worm) jmjC domain-containing protein 0.0038 0.0141 0.0183
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.009 0.0739 0.7547
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0032 0.0068 0.0077
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0116 0.0131
Schistosoma mansoni hypothetical protein 0.0339 0.3628 0.3628
Echinococcus multilocularis tar DNA binding protein 0.0066 0.0467 0.0783
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0162 0.1583 0.205
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0691 0.7722 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0116 0.0131
Trichomonas vaginalis set domain proteins, putative 0.0787 0.8829 1
Loa Loa (eye worm) hypothetical protein 0.0473 0.5189 0.672
Loa Loa (eye worm) jmjC domain-containing protein 0.0038 0.0141 0.0183
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0055 0.3224
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0116 0.0131
Echinococcus multilocularis cpg binding protein 0.0048 0.026 0.0436
Echinococcus multilocularis snurportin 1 0.0329 0.3514 0.5897
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0467 0.0467
Loa Loa (eye worm) hypothetical protein 0.0031 0.0055 0.0071
Brugia malayi jmjC domain containing protein 0.0261 0.2722 0.3526
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0336 0.3592 0.4068
Onchocerca volvulus 0.0312 0.3322 0.3762
Brugia malayi Pre-SET motif family protein 0.0691 0.7722 1
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.0863 0.1117
Loa Loa (eye worm) mbt repeat family protein 0.0286 0.3019 0.391
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0539 0.5959 1
Loa Loa (eye worm) hypothetical protein 0.0253 0.263 0.3405
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0041 0.017 0.2025
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0028 0.0025 0.0291

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0224 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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