Detailed information for compound 1409140

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 385.422 | Formula: C23H22F3NO
  • H donors: 0 H acceptors: 1 LogP: 5.11 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CC=CC2C1C(=O)N(C2c1ccc(cc1)C(F)(F)F)Cc1ccccc1
  • InChi: 1S/C23H22F3NO/c1-15-6-5-9-19-20(15)22(28)27(14-16-7-3-2-4-8-16)21(19)17-10-12-18(13-11-17)23(24,25)26/h2-5,7-13,15,19-21H,6,14H2,1H3
  • InChiKey: VPBDWNHJPXRKRA-UHFFFAOYSA-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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Echinococcus multilocularis serine protein kinase ATM 0.0396 0.1746 0.174
Plasmodium vivax hypothetical protein 0.0155 0.0634 0.5656
Brugia malayi FAT domain containing protein 0.0283 0.1225 0.1225
Giardia lamblia Phosphatidylinositol 4-kinase 0.0155 0.0634 0.1519
Brugia malayi TAR-binding protein 0.0076 0.0273 0.0273
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.0914 0.1909
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0893 0.4033 0.4028
Echinococcus granulosus neuropeptide receptor A26 0.0568 0.2536 0.253
Loa Loa (eye worm) hypothetical protein 0.0218 0.0925 0.1359
Trichomonas vaginalis PIKK family atypical protein kinase 0.0609 0.2728 0.5805
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1001 0.4534 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0097 0.0097
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0097 0.0089
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0584 0.0855
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0268 0.1155 0.1148
Loa Loa (eye worm) hypothetical protein 0.0041 0.011 0.0151
Echinococcus multilocularis geminin 0.0175 0.0728 0.0721
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0155 0.0634 0.1308
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0273 0.0265
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.1357 0.2861
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1033 0.4681 0.4681
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0086 0.0078
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0025 0.0037
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0321 0.1401 0.3433
Brugia malayi beta-lactamase family protein 0.0038 0.0097 0.0097
Trichomonas vaginalis PIKK family atypical protein kinase 0.081 0.3655 0.7796
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0893 0.4033 0.8608
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0155 0.0634 0.0626
Entamoeba histolytica hypothetical protein 0.0043 0.012 0.0205
Loa Loa (eye worm) phosphatidylinositol 3 0.0155 0.0634 0.0928
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2188 1 1
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0155 0.0634 0.0626
Loa Loa (eye worm) hypothetical protein 0.0019 0.0008 0.0000091757
Echinococcus granulosus tar DNA binding protein 0.0076 0.0273 0.0265
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.0051 0.0064
Schistosoma mansoni hypothetical protein 0.0043 0.012 0.0113
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0396 0.1746 0.1746
Trichomonas vaginalis PIKK family atypical protein kinase 0.081 0.3655 0.7796
Brugia malayi RNA binding protein 0.0076 0.0273 0.0273
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0008 0.0000091757
Trichomonas vaginalis PIKK family atypical protein kinase 0.081 0.3655 0.7796
Entamoeba histolytica protein kinase rad3, putative 0.0396 0.1746 0.3697
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0155 0.0634 0.5656
Onchocerca volvulus Huntingtin homolog 0.0148 0.0602 0.4476
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0283 0.1225 0.1219
Trichomonas vaginalis PIKK family atypical protein kinase 0.0893 0.4033 0.8608
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0256 0.1101 0.2998
Trichomonas vaginalis PIKK family atypical protein kinase 0.0745 0.3354 0.7149
Loa Loa (eye worm) hypothetical protein 0.0038 0.0097 0.0132
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0273 0.0265
Trichomonas vaginalis PIKK family atypical protein kinase 0.0762 0.343 0.7313
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0893 0.4033 0.8894
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.012 0.0113
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0256 0.1101 0.1621
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0256 0.1101 0.2312
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0155 0.0634 0.1308
Loa Loa (eye worm) hypothetical protein 0.0155 0.0634 0.0928
Loa Loa (eye worm) phosphatidylinositol 3 0.0155 0.0634 0.0928
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0256 0.1101 0.1094
Schistosoma mansoni ap endonuclease 0.0023 0.0025 0.0017
Brugia malayi Cytochrome P450 family protein 0.0028 0.0051 0.0051
Schistosoma mansoni hypothetical protein 0.0019 0.0008 0.0000061935
Entamoeba histolytica hypothetical protein 0.0155 0.0634 0.1308
Echinococcus multilocularis GPCR, family 2 0.0019 0.0008 0.0000061935
Onchocerca volvulus 0.0038 0.0097 0.0092
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.2188 1 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0008 0.0000061935
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0273 0.0393
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.1649 0.752 0.7518
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0155 0.0634 0.1716
Trichomonas vaginalis PIKK family atypical protein kinase 0.081 0.3655 0.7796
Loa Loa (eye worm) hypothetical protein 0.0322 0.1403 0.2068
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0396 0.1746 0.174
Loa Loa (eye worm) hypothetical protein 0.0148 0.0602 0.0881
Leishmania major phosphatidylinositol kinase, putative 0.0155 0.0634 0.1383
Schistosoma mansoni hypothetical protein 0.0019 0.0008 0.0000061935
Trichomonas vaginalis PIKK family atypical protein kinase 0.0893 0.4033 0.8608
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0827 0.3732 0.8229
Schistosoma mansoni hypothetical protein 0.0283 0.1225 0.1219
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0273 0.0265
Plasmodium vivax SET domain protein, putative 0.0036 0.0086 0.0571
Trichomonas vaginalis PIKK family atypical protein kinase 0.0827 0.3731 0.7959
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0312 0.1357 0.1357
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.0157 0.041
Loa Loa (eye worm) acetyltransferase 0.0175 0.0727 0.1066
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0616 0.2759 0.2759
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0778 0.3505 0.7474
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0273 0.0265
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.2188 1 1
Echinococcus multilocularis Zinc finger, PHD finger 0.0256 0.1101 0.1094
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.1357 0.2861
Trichomonas vaginalis conserved hypothetical protein 0.0283 0.1225 0.2579
Brugia malayi beta-lactamase 0.0038 0.0097 0.0097
Trichomonas vaginalis PIKK family atypical protein kinase 0.068 0.3051 0.65
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0256 0.1101 0.2312
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0241 0.1033 0.1026
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0283 0.1225 0.1219
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0097 0.0155
Onchocerca volvulus 0.0038 0.0097 0.0092
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0423 0.1868 0.3959
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0893 0.4033 0.4028
Echinococcus multilocularis neuropeptide s receptor 0.0568 0.2536 0.253
Entamoeba histolytica hypothetical protein 0.0155 0.0634 0.1308
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0044 0.0099
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0396 0.1746 0.3841
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0155 0.0634 0.0634
Loa Loa (eye worm) hypothetical protein 0.0396 0.1746 0.2577
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0678 0.3045 0.3039
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.0863 0.18
Trichomonas vaginalis PIKK family atypical protein kinase 0.0827 0.3731 0.7959
Schistosoma mansoni hypothetical protein 0.0041 0.011 0.0102
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0893 0.4033 0.4028
Mycobacterium leprae conserved hypothetical protein 0.0155 0.0634 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.0863 0.18
Trichomonas vaginalis PIKK family atypical protein kinase 0.0827 0.3731 0.7959
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0218 0.0925 0.7278
Loa Loa (eye worm) hypothetical protein 0.0038 0.0097 0.0132
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0778 0.3505 0.7474
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0097 0.0089
Trichomonas vaginalis PIKK family atypical protein kinase 0.0586 0.2618 0.557
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0097 0.0089
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0155 0.0634 0.0626
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0097 0.0132
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0256 0.1101 0.2312
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0097 0.0855
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0008 0.0000061935
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0504 0.2241 0.4934
Leishmania major cytochrome p450-like protein 0.0028 0.0051 0.0096
Trichomonas vaginalis PIKK family atypical protein kinase 0.068 0.3051 0.65
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0025 0.1904
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0396 0.1746 0.174
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0155 0.0634 0.0626
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.008 0.0072
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0025 0.0163
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0097 0.0669
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0155 0.0634 0.0626
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.0138 0.0242
Loa Loa (eye worm) hypothetical protein 0.0065 0.0221 0.0316
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0256 0.1101 0.1094
Plasmodium vivax hypothetical protein, conserved 0.0155 0.0634 0.5656
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0893 0.4033 0.4033
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0256 0.1101 0.2312
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0044 0.008
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.012 0.0113
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.0727 0.0719
Brugia malayi beta-lactamase family protein 0.0038 0.0097 0.0097
Loa Loa (eye worm) hypothetical protein 0.0283 0.1225 0.1805
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0256 0.1101 0.2312
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0893 0.4033 0.8894
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.0863 0.18
Loa Loa (eye worm) phosphatidylinositol 3 0.0155 0.0634 0.0928
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0273 0.0265
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0893 0.4033 0.8894
Trichomonas vaginalis PIKK family atypical protein kinase 0.0745 0.3352 0.7146
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0028 0.0051 0.4881
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.1033 0.4681 1
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0155 0.0634 0.0626
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0025 0.0037
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0025 0.5
Leishmania major hypothetical protein, unknown function 0.0155 0.0634 0.1383
Loa Loa (eye worm) phosphatidylinositol 3 0.0155 0.0634 0.0928
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0396 0.1746 0.1746
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0155 0.0634 0.1383
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.0704 0.0697
Onchocerca volvulus Huntingtin homolog 0.0148 0.0602 0.4476
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0396 0.1746 0.174
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0097 0.0855
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0086 0.0078
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.1033 0.4681 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0086 0.0116
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0155 0.0634 0.0626
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0097 0.1422
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.068 0.3051 0.6725
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.0863 0.18
Schistosoma mansoni fkbp-rapamycin associated protein 0.0396 0.1746 0.174
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0245 0.1049 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0527 0.2349 0.4992
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.0727 0.0719
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0198 0.0198
Trichomonas vaginalis PIKK family atypical protein kinase 0.0745 0.3354 0.7149
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0097 0.0197
Giardia lamblia Hypothetical protein 0.0155 0.0634 0.1519
Brugia malayi Pre-SET motif family protein 0.0036 0.0086 0.0086
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0893 0.4033 0.8608
Giardia lamblia GTOR 0.0893 0.4033 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0155 0.0634 0.1308
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0044 0.0177
Trichomonas vaginalis PIKK family atypical protein kinase 0.0527 0.2349 0.4992
Echinococcus granulosus geminin 0.0175 0.0728 0.0721
Loa Loa (eye worm) hypothetical protein 0.0027 0.0044 0.0053
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.1033 0.4681 1
Onchocerca volvulus 0.0155 0.0634 0.4752
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0155 0.0634 0.5656
Mycobacterium ulcerans hypothetical protein 0.0038 0.0097 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0893 0.4033 0.5968
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0097 0.0155
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0423 0.1868 0.1868
Trichomonas vaginalis PIKK family atypical protein kinase 0.0827 0.3731 0.7959
Echinococcus granulosus neuropeptide s receptor 0.0568 0.2536 0.253
Schistosoma mansoni hypothetical protein 0.0155 0.0634 0.0626
Trichomonas vaginalis PIKK family atypical protein kinase 0.0155 0.0634 0.1308
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0273 0.0265
Leishmania major phosphatidylinositol 4-kinase, putative 0.0155 0.0634 0.1383
Trichomonas vaginalis PIKK family atypical protein kinase 0.0396 0.1746 0.3697
Loa Loa (eye worm) hypothetical protein 0.0322 0.1403 0.2068
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.0914 0.1909
Loa Loa (eye worm) CYP4Cod1 0.0028 0.0051 0.0064
Trichomonas vaginalis PIKK family atypical protein kinase 0.0396 0.1746 0.3697
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.012 0.0113
Onchocerca volvulus 0.0038 0.0097 0.0092
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0025 0.0025
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0438 0.1939 0.5295
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0256 0.1101 1
Brugia malayi hypothetical protein 0.0027 0.0044 0.0044
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0878 0.3968 0.8468
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0512 0.2278 0.4838
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0155 0.0634 0.0626
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0423 0.1868 0.3959
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0396 0.1746 0.174
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0155 0.0634 0.0626
Trichomonas vaginalis PIKK family atypical protein kinase 0.0827 0.3731 0.7959
Trichomonas vaginalis conserved hypothetical protein 0.0241 0.1033 0.2164
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0155 0.0634 0.1383
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0867 0.3914 0.8353
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0312 0.1357 0.2001
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0678 0.3045 0.3039
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0155 0.0634 0.0626
Trichomonas vaginalis PIKK family atypical protein kinase 0.0762 0.343 0.7313
Toxoplasma gondii target of rapamycin (TOR), putative 0.081 0.3655 1
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0008 0.0008
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0155 0.0634 0.0626
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0718 0.3229 0.688
Loa Loa (eye worm) hypothetical protein 0.0038 0.0097 0.0132
Leishmania major hypothetical protein, conserved 0.0027 0.0044 0.008
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0273 0.0393
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0086 0.0078
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0256 0.1101 0.1094
Echinococcus granulosus serine protein kinase ATM 0.0396 0.1746 0.174
Echinococcus multilocularis 0.0155 0.0634 0.0626
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0273 0.0273
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0155 0.0634 0.5656
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0155 0.0634 0.5656
Entamoeba histolytica hypothetical protein 0.0043 0.012 0.0205
Toxoplasma gondii exonuclease III APE 0.0023 0.0025 0.0046
Loa Loa (eye worm) hypothetical protein 0.0438 0.1939 0.2863
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0044 0.0036
Brugia malayi N-terminal motif family protein 0.0218 0.0925 0.0925
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.0157 0.041
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0612 0.2738 0.6768
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0097 0.0155
Trichomonas vaginalis PIKK family atypical protein kinase 0.081 0.3655 0.7796
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.0863 0.18
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0678 0.3045 0.3045
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0155 0.0634 0.0626
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.2188 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.0051 0.0064
Entamoeba histolytica hypothetical protein 0.0396 0.1746 0.3697
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.0157 0.1231
Trichomonas vaginalis PIKK family atypical protein kinase 0.0155 0.0634 0.1308
Trichomonas vaginalis conserved hypothetical protein 0.0438 0.1939 0.4111
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0423 0.1868 0.3959
Trichomonas vaginalis PIKK family atypical protein kinase 0.0718 0.3229 0.688
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0155 0.0634 0.0626
Loa Loa (eye worm) hypothetical protein 0.0038 0.0097 0.0132
Loa Loa (eye worm) cytochrome P450 family protein 0.006 0.0197 0.028
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0155 0.0634 0.1716
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0008 0.0000061935
Entamoeba histolytica hypothetical protein 0.0867 0.3914 0.8353
Brugia malayi Cytochrome P450 family protein 0.0028 0.0051 0.0051
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.0138 0.1048
Trichomonas vaginalis PIKK family atypical protein kinase 0.0745 0.3354 0.7149
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0025 0.0017
Entamoeba histolytica hypothetical protein 0.0043 0.012 0.0205
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.1357 0.2861
Trypanosoma brucei cytochrome P450, putative 0.0028 0.0051 0.0096
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0086 0.0078
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.0157 0.015
Trichomonas vaginalis PIKK family atypical protein kinase 0.068 0.3051 0.65
Loa Loa (eye worm) hypothetical protein 0.006 0.0198 0.0281
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0044 0.0036
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0097 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0097 0.0089
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0256 0.1101 0.2416
Toxoplasma gondii FATC domain-containing protein 0.0396 0.1746 0.4767
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0256 0.1101 1
Brugia malayi Cytochrome P450 family protein 0.0019 0.0008 0.0008
Loa Loa (eye worm) phosphatidylinositol 3 0.0268 0.1155 0.1701
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0256 0.1101 0.1094
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0086 0.0078
Onchocerca volvulus Glucosylceramidase homolog 0.0205 0.0863 0.6743
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0155 0.0634 0.5656
Loa Loa (eye worm) phosphatidylinositol 3 0.1001 0.4534 0.6711
Schistosoma mansoni hypothetical protein 0.0019 0.0008 0.0000061935
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0286 0.1237 0.2715
Trichomonas vaginalis PIKK family atypical protein kinase 0.081 0.3655 0.7796
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.1649 0.752 0.7518
Trichomonas vaginalis set domain proteins, putative 0.0286 0.1238 0.2606
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0008 0.0008
Onchocerca volvulus 0.0155 0.0634 0.4752
Trichomonas vaginalis PIKK family atypical protein kinase 0.0527 0.2349 0.4992
Trypanosoma cruzi cytochrome P450, putative 0.0028 0.0051 0.0043
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0256 0.1101 0.1094
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0893 0.4033 0.4028
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0097 0.0855
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0097 0.0155
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0893 0.4033 0.4028
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0839 0.3788 0.3783
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0423 0.1868 0.3959
Mycobacterium ulcerans lipase LipD 0.0038 0.0097 1
Leishmania major phosphatidylinositol 3-kinase, putative 0.068 0.3051 0.6725
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0008 0.0000061935
Leishmania major hypothetical protein, conserved 0.0038 0.0097 0.0197
Mycobacterium ulcerans beta-lactamase 0.0038 0.0097 1
Loa Loa (eye worm) phosphatidylinositol kinase 0.0155 0.0634 0.0928
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0256 0.1101 0.1094
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0198 0.0281
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0423 0.1868 0.3959
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0155 0.0634 0.0626
Mycobacterium tuberculosis Conserved protein 0.0038 0.0097 0.0855
Schistosoma mansoni hypothetical protein 0.0175 0.0728 0.0721
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0155 0.0634 0.0634
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0025 0.0017
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.0138 0.0281
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0025 0.0017
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0086 0.0078
Trichomonas vaginalis esterase, putative 0.0038 0.0097 0.0155
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0198 0.0198
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0423 0.1868 0.1862
Schistosoma mansoni hypothetical protein 0.0019 0.0008 0.0000061935
Leishmania major phosphatidylinositol 3-kinase, putative 0.0256 0.1101 0.2416
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.0157 0.0285
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.1649 0.752 0.7518
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0025 0.5
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.0727 0.0727
Schistosoma mansoni hypothetical protein 0.0175 0.0728 0.0721
Loa Loa (eye worm) hypothetical protein 0.0678 0.3045 0.4503
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0097 0.0855
Trichomonas vaginalis PIKK family atypical protein kinase 0.0745 0.3352 0.7146
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.0863 0.18
Loa Loa (eye worm) RNA binding protein 0.0076 0.0273 0.0393
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0256 0.1101 0.1101
Brugia malayi Cytochrome P450 family protein 0.006 0.0197 0.0197
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2188 1 1
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0025 0.0025
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.1357 0.2861
Brugia malayi hypothetical protein 0.0148 0.0602 0.0602
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0256 0.1101 0.1094
Trichomonas vaginalis PIKK family atypical protein kinase 0.0745 0.3352 0.7146
Trichomonas vaginalis PIKK family atypical protein kinase 0.0241 0.1033 0.2164
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0827 0.3732 0.8229
Echinococcus granulosus GPCR family 2 0.0019 0.0008 0.0000061935
Brugia malayi Pre-SET motif family protein 0.0251 0.1078 0.1078
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0097 0.0089
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0155 0.0634 0.0634
Entamoeba histolytica hypothetical protein 0.0043 0.012 0.0205
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0044 0.0177
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.011 0.011
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0097 0.0855
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.1357 0.2861
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.1033 0.4681 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0745 0.3354 0.7149
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0155 0.0634 0.0626
Brugia malayi hypothetical protein 0.0043 0.012 0.012
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0423 0.1868 0.4111
Brugia malayi cytochrome P450 0.0019 0.0008 0.0008
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0097 0.0855
Trichomonas vaginalis PIKK family atypical protein kinase 0.081 0.3655 0.7796
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.1357 0.2861
Trichomonas vaginalis PIKK family atypical protein kinase 0.0544 0.2426 0.5156
Mycobacterium tuberculosis Conserved protein 0.0038 0.0097 0.0855
Onchocerca volvulus 0.0286 0.1238 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.1078 0.1587
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.1033 0.4681 0.4677
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0097 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0097 0.0132
Trypanosoma cruzi target of rapamycin kinase 3 0.0827 0.3732 0.3727
Trypanosoma cruzi cytochrome P450, putative 0.0028 0.0051 0.0043
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0256 0.1101 0.2416
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0893 0.4033 0.8894
Trichomonas vaginalis PIKK family atypical protein kinase 0.1001 0.4534 0.9684
Schistosoma mansoni ap endonuclease 0.0023 0.0025 0.0017
Leishmania major hypothetical protein, conserved 0.0155 0.0634 0.1383
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0155 0.0634 0.1716
Mycobacterium leprae Probable lipase LipE 0.0038 0.0097 0.1422
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0097 0.0855
Trichomonas vaginalis PIKK family atypical protein kinase 0.068 0.3051 0.65
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0423 0.1868 0.1862
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0935 0.1954
Loa Loa (eye worm) beta-lactamase 0.0038 0.0097 0.0132
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.1033 0.4681 0.4677
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.0157 0.0285
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0396 0.1746 0.174
Loa Loa (eye worm) hypothetical protein 0.0038 0.0097 0.0132
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0256 0.1101 0.2998
Loa Loa (eye worm) hypothetical protein 0.0355 0.1557 0.2296
Loa Loa (eye worm) hypothetical protein 0.0241 0.1033 0.1519
Loa Loa (eye worm) hypothetical protein 0.0148 0.0602 0.0881
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0044 0.0177
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0097 0.0155
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0097 0.0089
Loa Loa (eye worm) phosphatidylinositol 3 0.1483 0.6752 1
Mycobacterium tuberculosis Conserved protein 0.0038 0.0097 0.0855
Mycobacterium tuberculosis Conserved hypothetical protein 0.0155 0.0634 0.6011
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0086 0.0078
Echinococcus multilocularis neuropeptide receptor A26 0.0568 0.2536 0.253
Brugia malayi MH2 domain containing protein 0.0144 0.0584 0.0584
Toxoplasma gondii ABC1 family protein 0.0038 0.0097 0.0244
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0584 0.0855
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.0863 0.18
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1001 0.4534 1
Leishmania major phosphatidylinositol kinase related protein, putative 0.0155 0.0634 0.1383
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0086 0.0215
Entamoeba histolytica hypothetical protein 0.0155 0.0634 0.1308
Trichomonas vaginalis PIKK family atypical protein kinase 0.0893 0.4033 0.8608
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0025 0.0017

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 17.7828 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) = 25.1189 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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