Detailed information for compound 1459560

Basic information

Technical information
  • TDR Targets ID: 1459560
  • Name: N-[2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)quinaz olin-4-yl]amino]ethyl]acetamide
  • MW: 325.365 | Formula: C17H19N5O2
  • H donors: 2 H acceptors: 4 LogP: 2.08 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)NCCNc1nc(nc2c1cccc2)c1c(C)noc1C
  • InChi: 1S/C17H19N5O2/c1-10-15(11(2)24-22-10)17-20-14-7-5-4-6-13(14)16(21-17)19-9-8-18-12(3)23/h4-7H,8-9H2,1-3H3,(H,18,23)(H,19,20,21)
  • InChiKey: HLYULGIODFRLCG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-[[2-(3,5-dimethylisoxazol-4-yl)quinazolin-4-yl]amino]ethyl]acetamide
  • N-[2-[[2-(3,5-dimethyl-4-isoxazolyl)-4-quinazolinyl]amino]ethyl]acetamide
  • N-[2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]amino]ethyl]ethanamide
  • NCGC00010851
  • PCOP-285496

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens CDC-like kinase 4 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Theileria parva serine/threonine protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Babesia bovis protein serine/threonine kinase 1 Get druggable targets OG5_126990 All targets in OG5_126990
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative Get druggable targets OG5_126990 All targets in OG5_126990
Loa Loa (eye worm) CMGC/CLK protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus multilocularis dual specificity protein kinase clk2 Get druggable targets OG5_126990 All targets in OG5_126990
Plasmodium vivax serine/threonine kinase-1, putative Get druggable targets OG5_126990 All targets in OG5_126990
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus multilocularis Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma japonicum Serine/threonine-protein kinase Doa, putative Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania mexicana protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei kinetoplastid kinetochore protein 10 Get druggable targets OG5_126990 All targets in OG5_126990
Cryptosporidium hominis serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma congolense kinetoplastid kinetochore protein, putative Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania major protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative Get druggable targets OG5_126990 All targets in OG5_126990
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma congolense kinetoplastid kinetochore protein, putative Get druggable targets OG5_126990 All targets in OG5_126990
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative Get druggable targets OG5_126990 All targets in OG5_126990
Plasmodium falciparum protein serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium knowlesi serine/threonine kinase-1, putative Get druggable targets OG5_126990 All targets in OG5_126990
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium berghei serine/threonine kinase-1, putative Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma japonicum ko:K08823 CDC-like kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus hypothetical protein Get druggable targets OG5_126990 All targets in OG5_126990
Candida albicans Serine/threonine protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania infantum protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Cryptosporidium parvum serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma brucei gambiense protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126990 All targets in OG5_126990
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative Get druggable targets OG5_126990 All targets in OG5_126990
Neospora caninum hypothetical protein Get druggable targets OG5_126990 All targets in OG5_126990
Plasmodium yoelii protein serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma congolense kinetoplastid kinetochore protein 10, putative Get druggable targets OG5_126990 All targets in OG5_126990
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Giardia lamblia Kinase, CMGC CLK Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus dual specificity protein kinase clk2 Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma japonicum expressed protein Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma brucei kinetoplastid kinetochore protein 19 Get druggable targets OG5_126990 All targets in OG5_126990
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania infantum protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative Get druggable targets OG5_126990 All targets in OG5_126990
Candida albicans Serine/threonine protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0132 0.1172 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0044 0.0366 0.0481
Trypanosoma cruzi amidase, putative 0.0132 0.1172 0.1667
Mycobacterium tuberculosis Probable amidase AmiC (aminohydrolase) 0.0132 0.1172 0.1667
Brugia malayi Cytochrome P450 family protein 0.0009 0.004 0.0035
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0137 0.0133
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0132 0.1172 0.1247
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0747 0.6831 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0059 0.0054
Schistosoma mansoni fatty-acid amide hydrolase 0.0132 0.1172 0.1168
Trypanosoma brucei Alpha/beta hydrolase family, putative 0.0044 0.0366 0.0481
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0747 0.6831 1
Toxoplasma gondii phospholipase 0.0044 0.0366 0.5503
Trypanosoma brucei lipase domain protein, putative 0.016 0.1437 0.2057
Echinococcus multilocularis transient receptor potential cation channel 0.0005 0.0005 0.0005
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.0137 0.0143
Trypanosoma brucei lipase domain protein, putative 0.016 0.1437 0.2057
Trypanosoma brucei Serine peptidase, Clan SC, Family S09X 0.0044 0.0366 0.0481
Leishmania major hypothetical protein, conserved 0.0044 0.0366 0.0481
Schistosoma mansoni serine/threonine protein kinase 0.0073 0.0633 0.0629
Plasmodium falciparum lysophospholipase, putative 0.0747 0.6831 1
Plasmodium vivax PST-A protein 0.0747 0.6831 1
Trypanosoma cruzi hypothetical protein, conserved 0.016 0.1437 0.2057
Trypanosoma cruzi serine peptidase, putative 0.0044 0.0366 0.0481
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0132 0.1172 0.1172
Mycobacterium leprae PROBABLE AMIDASE AMIC (AMINOHYDROLASE) 0.0132 0.1172 0.1667
Loa Loa (eye worm) lipase 0.016 0.1437 0.1433
Brugia malayi MGC83647 protein 0.0044 0.0366 0.0362
Trypanosoma brucei cytochrome P450, putative 0.0019 0.0137 0.0143
Toxoplasma gondii hydrolase, alpha/beta fold family protein 0.0044 0.0366 0.5503
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0044 0.0366 0.0481
Schistosoma mansoni amidase 0.1091 1 1
Echinococcus granulosus monoacylglycerol lipase abhd12 0.0044 0.0366 0.0366
Loa Loa (eye worm) amidase 0.0132 0.1172 0.1168
Mycobacterium ulcerans lysophospholipase 0.0747 0.6831 1
Toxoplasma gondii esterase/lipase/thioesterase domain-containing protein 0.0044 0.0366 0.5503
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0073 0.0633 0.0873
Mycobacterium ulcerans amidase 0.0132 0.1172 0.1667
Trypanosoma cruzi monoglyceride lipase, putative 0.0747 0.6831 1
Echinococcus multilocularis 0.0072 0.0628 0.0628
Leishmania major monoglyceride lipase, putative 0.0747 0.6831 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0366 0.0362
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0073 0.0633 0.0873
Echinococcus granulosus abhydrolase domain containing 3 0.0044 0.0366 0.0366
Echinococcus granulosus short transient receptor potential channel 6 0.0005 0.0005 0.0005
Schistosoma mansoni family S9 unassigned peptidase (S09 family) 0.0044 0.0366 0.0362
Loa Loa (eye worm) hypothetical protein 0.0044 0.0366 0.0362
Toxoplasma gondii phospholipase/carboxylesterase 0.0044 0.0366 0.5503
Echinococcus multilocularis monoacylglycerol lipase abhd12 0.0044 0.0366 0.0366
Brugia malayi MGC79044 protein 0.0044 0.0366 0.0362
Echinococcus multilocularis dual specificity protein kinase clk2 0.0073 0.0633 0.0633
Echinococcus granulosus fatty acid amide hydrolase 1 0.0132 0.1172 0.1172
Schistosoma mansoni family S9 unassigned peptidase (S09 family) 0.0044 0.0366 0.0362
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0073 0.0633 1
Mycobacterium ulcerans hypothetical protein 0.0044 0.0366 0.0481
Toxoplasma gondii hypothetical protein 0.0044 0.0366 0.5503
Loa Loa (eye worm) CYP4Cod1 0.0019 0.0137 0.0133
Trichomonas vaginalis CMGC family protein kinase 0.0073 0.0633 0.0413
Echinococcus multilocularis ankyrin repeat protein 0.0708 0.6476 0.6476
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0073 0.0633 0.0873
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0132 0.1172 0.1168
Toxoplasma gondii hydrolase, alpha/beta fold family protein 0.0044 0.0366 0.5503
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0044 0.0366 0.0481
Mycobacterium ulcerans amidase 0.0132 0.1172 0.1667
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0044 0.0366 0.0481
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0132 0.1172 0.1172
Trichomonas vaginalis conserved hypothetical protein 0.0747 0.6831 1
Brugia malayi Amidase family protein 0.0132 0.1172 0.1168
Echinococcus granulosus sn1 specific diacylglycerol lipase beta 0.016 0.1437 0.1437
Brugia malayi putative amidase 0.0132 0.1172 0.1168
Echinococcus granulosus ankyrin repeat protein 0.0708 0.6476 0.6476
Mycobacterium ulcerans hypothetical protein 0.0747 0.6831 1
Echinococcus granulosus dual specificity protein kinase clk2 0.0073 0.0633 0.0633
Mycobacterium ulcerans hydrolase 0.0044 0.0366 0.0481
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0747 0.6831 1
Echinococcus multilocularis short transient receptor potential channel 6 0.0005 0.0005 0.0005
Trypanosoma cruzi Serine peptidase, Clan SC, Family S09X, putative 0.0044 0.0366 0.0481
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0073 0.0633 0.0873
Plasmodium falciparum esterase, putative 0.0747 0.6831 1
Plasmodium vivax serine/threonine kinase-1, putative 0.0073 0.0633 0.0413
Toxoplasma gondii hypothetical protein 0.0044 0.0366 0.5503
Mycobacterium ulcerans amidase 0.0132 0.1172 0.1667
Leishmania major protein kinase, putative 0.0073 0.0633 0.0873
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0073 0.0633 0.0873
Plasmodium falciparum lysophospholipase, putative 0.0747 0.6831 1
Leishmania major protein kinase, putative 0.0073 0.0633 0.0873
Plasmodium falciparum protein serine/threonine kinase-1 0.0073 0.0633 0.0413
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0132 0.1172 0.5
Loa Loa (eye worm) hypothetical protein 0.1091 1 1
Trichomonas vaginalis lipase containing protein, putative 0.016 0.1437 0.1656
Trypanosoma cruzi hypothetical protein, conserved 0.016 0.1437 0.2057
Trypanosoma cruzi hydrolase, alpha/beta fold family, putative 0.0044 0.0366 0.0481
Mycobacterium ulcerans amidase 0.0132 0.1172 0.1667
Mycobacterium tuberculosis Probable amidase AmiA2 (aminohydrolase) 0.0132 0.1172 0.1667
Brugia malayi Cytochrome P450 family protein 0.0019 0.0137 0.0133
Echinococcus multilocularis 0.0009 0.004 0.004
Echinococcus granulosus hypothetical protein 0.0072 0.0628 0.0628
Schistosoma mansoni cytochrome P450 0.0009 0.004 0.0035
Toxoplasma gondii protein c14orf29, putative 0.0044 0.0366 0.5503
Echinococcus multilocularis Phospholipase carboxylesterase 0.0044 0.0366 0.0366
Trypanosoma brucei Alpha/beta hydrolase family, putative 0.0044 0.0366 0.0481
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0747 0.6831 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0366 0.0362
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0073 0.0633 0.0873
Echinococcus granulosus abhydrolase domain containing protein 13 0.0044 0.0366 0.0366
Mycobacterium ulcerans peptide amidase, GatA 0.0132 0.1172 0.1667
Echinococcus granulosus cytochrome P450 2K1 0.0009 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0044 0.0366 0.0362
Echinococcus granulosus fatty acid amide hydrolase 1 0.1091 1 1
Mycobacterium leprae PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A) 0.0132 0.1172 0.1667
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0747 0.6831 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0366 0.0362
Schistosoma mansoni peptidase 0.0044 0.0366 0.0362
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0132 0.1172 0.1247
Brugia malayi Cytochrome P450 family protein 0.0009 0.004 0.0035
Schistosoma mansoni fatty-acid amide hydrolase 0.1091 1 1
Loa Loa (eye worm) cytochrome P450 0.0009 0.004 0.0035
Loa Loa (eye worm) hypothetical protein 0.0072 0.0628 0.0623
Leishmania major hypothetical protein, conserved 0.016 0.1437 0.2057
Onchocerca volvulus 0.016 0.1437 0.5
Brugia malayi Lipase family protein 0.016 0.1437 0.1433
Toxoplasma gondii hypothetical protein 0.0044 0.0366 0.5503
Echinococcus granulosus transient receptor potential cation channel 0.0712 0.6509 0.6509
Schistosoma mansoni hypothetical protein 0.0009 0.004 0.0035
Echinococcus multilocularis fatty acid amide hydrolase 1 0.1091 1 1
Echinococcus granulosus Phospholipase carboxylesterase 0.0044 0.0366 0.0366
Giardia lamblia Kinase, CMGC CLK 0.0073 0.0633 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0009 0.004 0.0035
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0747 0.6831 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0132 0.1172 0.1172
Echinococcus multilocularis transient receptor potential cation channel 0.0713 0.6519 0.6519
Mycobacterium ulcerans amidase 0.0132 0.1172 0.1667
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0747 0.6831 1
Mycobacterium tuberculosis Possible amidase (aminohydrolase) 0.0132 0.1172 0.1667
Leishmania major hypothetical protein, conserved 0.0132 0.1172 0.1667
Mycobacterium ulcerans hypothetical protein 0.0044 0.0366 0.0481
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0747 0.6831 1
Leishmania major hypothetical protein, conserved 0.0044 0.0366 0.0481
Mycobacterium tuberculosis Probable amidase AmiB2 (aminohydrolase) 0.0132 0.1172 0.1667
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0019 0.0137 0.0143
Brugia malayi Cytochrome P450 family protein 0.0019 0.0137 0.0133
Toxoplasma gondii peptidase S15, putative 0.0044 0.0366 0.5503
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.0137 0.0143
Leishmania major Bem46-like serine peptidase,Serine peptidase, Clan SC, Family S09X 0.0044 0.0366 0.0481
Trypanosoma brucei monoglyceride lipase, putative 0.0747 0.6831 1
Brugia malayi Protein kinase domain containing protein 0.0073 0.0633 0.0629
Plasmodium falciparum lysophospholipase, putative 0.0747 0.6831 1
Trichomonas vaginalis conserved hypothetical protein 0.0747 0.6831 1
Brugia malayi cytochrome P450 0.0009 0.004 0.0035
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0747 0.6831 1
Echinococcus granulosus transient receptor potential cation channel 0.0005 0.0005 0.0005
Echinococcus multilocularis abhydrolase domain containing 3 0.0044 0.0366 0.0366
Trypanosoma brucei fatty-acid amide hydrolase, putative 0.0132 0.1172 0.1667
Brugia malayi Amidase family protein 0.0132 0.1172 0.1168
Echinococcus multilocularis fatty acid amide hydrolase 1 0.1091 1 1
Trypanosoma cruzi amidase, putative 0.0132 0.1172 0.1667
Mycobacterium tuberculosis Probable amidase AmiD (acylamidase) (acylase) 0.0132 0.1172 0.1667
Brugia malayi Protein C20orf22 0.0044 0.0366 0.0362
Trichomonas vaginalis lipase containing protein, putative 0.016 0.1437 0.1656
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0137 0.0133
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0132 0.1172 0.5
Schistosoma mansoni transient receptor potential cation channel subfamily A member 0.0708 0.6476 0.6474
Loa Loa (eye worm) amidase 0.0132 0.1172 0.1168
Echinococcus granulosus fatty acid amide hydrolase 1 0.1091 1 1
Toxoplasma gondii hypothetical protein 0.0044 0.0366 0.5503
Leishmania major cytochrome p450-like protein 0.0019 0.0137 0.0143
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0073 0.0633 0.0629
Mycobacterium ulcerans aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0132 0.1172 0.1667
Echinococcus multilocularis sn1 specific diacylglycerol lipase beta 0.016 0.1437 0.1437
Mycobacterium tuberculosis Possible lysophospholipase 0.0747 0.6831 1
Schistosoma mansoni serine/threonine protein kinase 0.0073 0.0633 0.0629
Trypanosoma brucei monoglyceride lipase, putative 0.0747 0.6831 1
Trypanosoma cruzi serine peptidase, putative 0.0044 0.0366 0.0481

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 1.584893192 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 15.84893192 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of CDC-like Kinase 4 (Kinase-Glo Assay). (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (ADMET) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of CDC-like Kinase 4 (ADP-Glo Assay). (Class of assay: confirmatory) [Related pubchem assays: 1379 ] 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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