Detailed information for compound 1454542

Basic information

Technical information
  • TDR Targets ID: 1454542
  • Name: N-(amino-phenylmethylidene)-6-(2,2,2-trifluor oethoxy)pyridine-3-carboxamide
  • MW: 323.27 | Formula: C15H12F3N3O2
  • H donors: 1 H acceptors: 2 LogP: 3.08 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(nc1)OCC(F)(F)F)NC(=N)c1ccccc1
  • InChi: 1S/C15H12F3N3O2/c16-15(17,18)9-23-12-7-6-11(8-20-12)14(22)21-13(19)10-4-2-1-3-5-10/h1-8H,9H2,(H2,19,21,22)
  • InChiKey: ZDMPSAPHXKVSDW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(amino-phenyl-methylene)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
  • N-(amino-phenylmethylene)-6-(2,2,2-trifluoroethoxy)-3-pyridinecarboxamide
  • N-(amino-phenyl-methylene)-6-(2,2,2-trifluoroethoxy)nicotinamide
  • N-(amino-phenyl-methylidene)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
  • SMR000460056
  • IDI1_018781
  • Maybridge3_007394
  • MLS000861272
  • N3-imino(phenyl)methyl-6-(2,2,2-trifluoroethoxy)nicotinamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references
Homo sapiens glucosidase, beta, acid Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi O-Glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Onchocerca volvulus Glucosylceramidase homolog Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
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 %
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) TAR-binding protein 0.0265 0.7072 0.8375
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.8445 1
Schistosoma mansoni hypothetical protein 0.0033 0.0248 0.0337
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.1078 0.0986
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.5289 0.5716
Loa Loa (eye worm) hypothetical protein 0.0052 0.0782 0.0926
Brugia malayi MAP kinase sur-1 0.0062 0.1078 0.117
Loa Loa (eye worm) hypothetical protein 0.0028 0.0101 0.012
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.1078 0.1442
Schistosoma mansoni tar DNA-binding protein 0.0265 0.7072 0.9622
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0776 0.0682
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0312 0.8445 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.1388 0.1885
Echinococcus granulosus sterol O acyltransferase 1 0.0217 0.5666 0.7992
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0702 0.072
Brugia malayi RNA recognition motif domain containing protein 0.0265 0.7072 0.8355
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0776 0.0682
Brugia malayi Bromodomain containing protein 0.0091 0.1932 0.2194
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.4346 0.4289
Schistosoma mansoni glutaminase 0.0275 0.735 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.5289 0.5716
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.8445 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.5289 0.5716
Loa Loa (eye worm) RNA binding protein 0.0265 0.7072 0.8375
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.1078 0.1442
Loa Loa (eye worm) hypothetical protein 0.0217 0.5666 0.6709
Onchocerca volvulus Glucosylceramidase homolog 0.0205 0.5289 0.5
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.1078 0.0986
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.8445 1
Brugia malayi glutaminase DH11.1 0.0275 0.735 0.8688
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0265 0.7072 0.8375
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.1078 0.1466
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.5613 0.6156
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.492 0.5
Loa Loa (eye worm) hypothetical protein 0.0046 0.063 0.0746
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0101 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0544 0.0679
Brugia malayi Bromodomain containing protein 0.0046 0.0628 0.0631
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.5289 0.5716
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.1078 1
Mycobacterium ulcerans glutaminase 0.0275 0.735 1
Echinococcus multilocularis tar DNA binding protein 0.0265 0.7072 1
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.5613 0.6156
Echinococcus multilocularis sterol O acyltransferase 1 0.0217 0.5666 0.7992
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.351 0.4156
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0101 0.5
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.1078 0.0986
Echinococcus granulosus tar DNA binding protein 0.0265 0.7072 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.5289 0.5716
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0101 0.5
Loa Loa (eye worm) hypothetical protein 0.0049 0.0714 0.0846
Toxoplasma gondii hypothetical protein 0.0059 0.0998 0.9183
Schistosoma mansoni bromodomain containing protein 0.0076 0.1516 0.2062
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0068 0.0092
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.8445 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.178 0.2108
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.1078 0.0986
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 1 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.1388 0.1885
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0702 0.0831
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0051 0.0776 0.0682
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.1078 0.1276
Trichomonas vaginalis glutaminase, putative 0.0275 0.735 0.8514
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.1078 0.1442
Brugia malayi MH2 domain containing protein 0.0144 0.351 0.4085
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0776 0.0682
Loa Loa (eye worm) hypothetical protein 0.0049 0.0702 0.0831
Schistosoma mansoni sterol O-acyltransferase 1 0.0217 0.5666 0.7708
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.1078 0.0986
Brugia malayi RNA binding protein 0.0265 0.7072 0.8355
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0702 0.072
Brugia malayi TAR-binding protein 0.0265 0.7072 0.8355
Trypanosoma brucei protein kinase, putative 0.0062 0.1078 0.0986
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0248 0.0176
Schistosoma mansoni tar DNA-binding protein 0.0265 0.7072 0.9622
Loa Loa (eye worm) glutaminase 0.0275 0.735 0.8704
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.1078 0.0986
Brugia malayi PHD-finger family protein 0.003 0.0152 0.0061
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.1106 0.1015
Loa Loa (eye worm) hypothetical protein 0.0033 0.0248 0.0294
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.1078 0.1442
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.5289 0.5716
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.8445 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.1078 0.0986
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.4346 0.4289
Schistosoma mansoni tar DNA-binding protein 0.0265 0.7072 0.9622
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.8445 1
Schistosoma mansoni tar DNA-binding protein 0.0265 0.7072 0.9622
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 1 1
Schistosoma mansoni tar DNA-binding protein 0.0265 0.7072 0.9622
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.1078 0.5
Loa Loa (eye worm) hypothetical protein 0.0196 0.5041 0.5969
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0544 0.0679
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.5289 0.5716
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0312 0.8445 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.351 0.4156
Loa Loa (eye worm) glutaminase 2 0.0275 0.735 0.8704
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.4346 0.4289

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.122 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (functional) 12.5893 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) 14.1254 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 16.5113 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 21.3313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 29.0929 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 89.1251 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

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.