Detailed information for compound 1358953

Basic information

Technical information
  • TDR Targets ID: 1358953
  • Name: 4-[[1-[2-[(2,4-dimethylphenyl)amino]-2-oxoeth yl]-2,4-dioxoquinazolin-3-yl]methyl]-N-[(4-me thylphenyl)methyl]benzamide
  • MW: 560.642 | Formula: C34H32N4O4
  • H donors: 2 H acceptors: 4 LogP: 5.07 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: Cc1ccc(cc1)CNC(=O)c1ccc(cc1)Cn1c(=O)n(CC(=O)Nc2ccc(cc2C)C)c2c(c1=O)cccc2
  • InChi: 1S/C34H32N4O4/c1-22-8-11-25(12-9-22)19-35-32(40)27-15-13-26(14-16-27)20-38-33(41)28-6-4-5-7-30(28)37(34(38)42)21-31(39)36-29-17-10-23(2)18-24(29)3/h4-18H,19-21H2,1-3H3,(H,35,40)(H,36,39)
  • InChiKey: WSTBYGCYWVWRPD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[[1-[2-[(2,4-dimethylphenyl)amino]-2-oxo-ethyl]-2,4-dioxo-quinazolin-3-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide
  • 4-[[1-[2-[(2,4-dimethylphenyl)amino]-2-oxoethyl]-2,4-dioxo-3-quinazolinyl]methyl]-N-[(4-methylphenyl)methyl]benzamide
  • 4-[[1-[2-[(2,4-dimethylphenyl)amino]-2-keto-ethyl]-2,4-diketo-quinazolin-3-yl]methyl]-N-(4-methylbenzyl)benzamide
  • C260-2769
  • NCGC00106735-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0017 0.0042 0.0044
Brugia malayi Cytochrome P450 family protein 0.0059 0.0871 0.0859
Leishmania major glucose transporter/membrane transporter D2, putative 0.0038 0.0454 0.1871
Loa Loa (eye worm) hypothetical protein 0.0037 0.0429 0.0443
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0121 0.2111 0.9408
Loa Loa (eye worm) cytochrome P450 family protein 0.0185 0.3367 0.3477
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0059 0.0871 0.3769
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0037 0.0444 0.0532
Loa Loa (eye worm) hypothetical protein 0.0017 0.0042 0.0044
Echinococcus multilocularis solute carrier family 22 0.0017 0.0042 0.0015
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0059 0.0871 0.3769
Echinococcus multilocularis solute carrier family 22 0.0017 0.0042 0.0015
Trichomonas vaginalis conserved hypothetical protein 0.0122 0.2128 0.4922
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0059 0.0871 0.3769
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0027 0.0243 0.0912
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0121 0.2111 0.9408
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0121 0.2111 0.2676
Plasmodium falciparum mitogen-activated protein kinase 2 0.0197 0.3622 0.3595
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0059 0.0871 0.3769
Brugia malayi Cam kinase protein 1 0.0037 0.0444 0.0417
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0037 0.0445 0.0617
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0059 0.0871 0.3769
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0396 0.0469
Echinococcus granulosus General substrate transporter 0.0105 0.1787 0.2259
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0059 0.0871 0.3769
Trypanosoma brucei glucose transporter 2A 0.0038 0.0454 0.4284
Loa Loa (eye worm) hypothetical protein 0.0017 0.0042 0.0044
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0128 0.2241 0.2844
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0122 0.2128 0.2698
Brugia malayi Pre-SET motif family protein 0.0029 0.0278 0.0245
Trichomonas vaginalis set domain proteins, putative 0.0231 0.4279 1
Echinococcus multilocularis voltage dependent calcium channel 0.0182 0.3324 0.4236
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0027 0.0243 0.115
Schistosoma mansoni protein kinase 0.0037 0.0444 0.1256
Trichomonas vaginalis sugar transporter, putative 0.0038 0.0454 0.0971
Schistosoma mansoni lipoxygenase 0.014 0.2485 0.7452
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0037 0.0444 0.0532
Schistosoma mansoni polycystin 1-related 0.0023 0.0166 0.0412
Schistosoma mansoni hypothetical protein 0.0023 0.0166 0.0412
Onchocerca volvulus 0.0231 0.4279 1
Brugia malayi follicle stimulating hormone receptor 0.0503 0.9684 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0128 0.2241 0.2844
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0122 0.2128 0.2698
Schistosoma mansoni aldehyde dehydrogenase 0.0128 0.2241 0.6713
Echinococcus granulosus voltage dependent calcium channel 0.0026 0.0215 0.0236
Leishmania major glucose transporter, lmgt2 0.0038 0.0454 0.1871
Loa Loa (eye worm) voltage-dependent calcium channel 0.0026 0.0215 0.0222
Trichomonas vaginalis sugar transporter, putative 0.0038 0.0454 0.0971
Plasmodium vivax hexose transporter 0.0122 0.2128 0.2094
Echinococcus multilocularis Polycystic kidney disease protein 0.0023 0.0166 0.0175
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0059 0.0871 0.3769
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0197 0.3622 0.5495
Schistosoma mansoni sugar transporter 0.0017 0.0042 0.0035
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0037 0.0444 0.0417
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0059 0.0871 0.3769
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0137 0.0322
Brugia malayi hypothetical protein 0.0182 0.3325 0.3404
Giardia lamblia Prolyl-tRNA synthetase 0.0037 0.0429 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0415 0.088
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0037 0.0445 0.0404
Echinococcus multilocularis lysyl tRNA synthetase 0.0027 0.0243 0.0273
Entamoeba histolytica hypothetical protein 0.0043 0.0564 0.4374
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0059 0.0871 0.3769
Brugia malayi hypothetical protein 0.0023 0.0166 0.0129
Plasmodium vivax calcium-dependent protein kinase, putative 0.0037 0.0445 0.0404
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0043 0.055 0.2308
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0415 0.088
Plasmodium falciparum LCCL domain-containing protein 0.0023 0.0166 0.0125
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0182 0.3324 0.4236
Trypanosoma brucei glucose transporter, putative 0.0038 0.0454 0.4284
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0064 0.0977 0.4251
Schistosoma mansoni sugar transporter 0.0017 0.0042 0.0035
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0064 0.0977 0.1217
Schistosoma mansoni loxhd1 0.0023 0.0166 0.0412
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0121 0.2111 0.2676
Toxoplasma gondii lysine-tRNA ligase 0.0027 0.0243 0.0308
Trypanosoma cruzi hexose transporter, putative 0.0021 0.0113 0.0731
Loa Loa (eye worm) hypothetical protein 0.0182 0.3325 0.3433
Echinococcus granulosus solute carrier family 22 0.0017 0.0042 0.0015
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0059 0.0871 0.3769
Echinococcus multilocularis 0.0059 0.0871 0.1081
Loa Loa (eye worm) hypothetical protein 0.0017 0.0042 0.0044
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0059 0.0871 0.3769
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0257 0.0291
Schistosoma mansoni cytochrome P450 0.0059 0.0871 0.2552
Brugia malayi Bromodomain containing protein 0.0073 0.1151 0.1149
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0059 0.0871 0.3769
Schistosoma mansoni glucose transport protein 0.0122 0.2128 0.6368
Echinococcus granulosus voltage dependent calcium channel 0.0182 0.3324 0.4236
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0415 0.2346
Echinococcus granulosus solute carrier family 22 0.0017 0.0042 0.0015
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0037 0.0444 0.4185
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0564 0.0686
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0037 0.0429 0.2538
Plasmodium falciparum protein kinase 7 0.0345 0.6557 0.6542
Schistosoma mansoni aldehyde dehydrogenase 0.0128 0.2241 0.6713
Schistosoma mansoni rab6-interacting 0.0023 0.0166 0.0412
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0059 0.0871 0.863
Echinococcus granulosus RUN 0.0023 0.0166 0.0175
Schistosoma mansoni lysyl-tRNA synthetase 0.0027 0.0243 0.0644
Toxoplasma gondii facilitative glucose transporter GT1 0.0122 0.2128 0.3201
Trypanosoma cruzi cytochrome P450, putative 0.0059 0.0871 0.863
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0059 0.0871 0.3769
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0027 0.0243 0.0473
Echinococcus multilocularis voltage dependent calcium channel 0.0182 0.3324 0.4236
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0278 0.0362
Brugia malayi hypothetical protein 0.003 0.0306 0.0273
Loa Loa (eye worm) calcium channel 0.0182 0.3324 0.3432
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0415 1
Brugia malayi Inositol-1 0.0036 0.0415 0.0387
Loa Loa (eye worm) hypothetical protein 0.0017 0.0042 0.0044
Loa Loa (eye worm) hypothetical protein 0.0017 0.0042 0.0044
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0043 0.055 0.5285
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0023 0.0161 0.054
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0037 0.0445 0.0404
Leishmania major cytochrome p450-like protein 0.0059 0.0871 0.3769
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0059 0.0871 0.3769
Echinococcus multilocularis sodium channel protein 0.0047 0.0639 0.0782
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.0855 0.106
Toxoplasma gondii transporter, cation channel family protein 0.0026 0.0215 0.0264
Entamoeba histolytica protein kinase, putative 0.0037 0.0444 0.2743
Loa Loa (eye worm) cytochrome P450 family protein 0.0059 0.0871 0.0899
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0059 0.0871 0.3769
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0066 0.1003 1
Echinococcus multilocularis transcription factor Dp 1 0.0037 0.044 0.0526
Trypanosoma brucei glucose transporter, putative 0.0038 0.0454 0.4284
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0043 0.055 0.0779
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0122 0.2128 0.2698
Plasmodium vivax SET domain protein, putative 0.0029 0.0278 0.0237
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0059 0.0871 0.3769
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0122 0.2128 0.2698
Mycobacterium ulcerans aldehyde dehydrogenase 0.0128 0.2241 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0137 0.0137
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0182 0.3324 0.4236
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0415 0.3881
Loa Loa (eye worm) hypothetical protein 0.0017 0.0042 0.0044
Trypanosoma brucei glucose transporter, putative 0.0038 0.0454 0.4284
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0306 0.0264
Echinococcus granulosus calcium dependent protein kinase 0.0035 0.0398 0.0473
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0564 0.0686
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0037 0.0445 0.0404
Schistosoma mansoni glucose transport protein 0.0122 0.2128 0.6368
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0037 0.0429 0.121
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0122 0.2128 0.2698
Echinococcus granulosus transcription factor Dp 1 0.0037 0.044 0.0526
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0037 0.0444 0.0532
Brugia malayi Cytochrome P450 family protein 0.0059 0.0871 0.0859
Plasmodium vivax proline--tRNA ligase, putative 0.0043 0.055 0.051
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0415 0.0572
Plasmodium falciparum calcium-dependent protein kinase 5 0.0037 0.0445 0.0404
Leishmania major hypothetical protein, conserved 0.003 0.0306 0.1197
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0059 0.0871 0.3769
Loa Loa (eye worm) hypothetical protein 0.0026 0.0215 0.0222
Onchocerca volvulus 0.0029 0.0278 0.0556
Echinococcus multilocularis zinc finger protein 0.0019 0.008 0.0063
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0059 0.0871 0.3769
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0037 0.0444 0.0532
Onchocerca volvulus 0.0182 0.3325 0.7747
Loa Loa (eye worm) hypothetical protein 0.0037 0.0443 0.0457
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0415 0.1695
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0037 0.0429 0.0401
Schistosoma mansoni sugar transporter 0.0017 0.0042 0.0035
Loa Loa (eye worm) hypothetical protein 0.0027 0.0243 0.0251
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0037 0.0429 0.0513
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0059 0.0871 0.3769
Mycobacterium ulcerans aldehyde dehydrogenase 0.0128 0.2241 1
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0454 0.0971
Loa Loa (eye worm) hypothetical protein 0.0042 0.0525 0.0543
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0122 0.2128 0.2698
Leishmania major glucose transporter, lmgt1 0.0038 0.0454 0.1871
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0121 0.2111 0.9408
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0059 0.0871 0.3769
Entamoeba histolytica hypothetical protein 0.0043 0.0564 0.4374
Loa Loa (eye worm) CYP4Cod1 0.0059 0.0871 0.0899
Loa Loa (eye worm) cytochrome P450 0.0059 0.0871 0.0899
Loa Loa (eye worm) hypothetical protein 0.0037 0.0429 0.0443
Trichomonas vaginalis glucose transporter, putative 0.0038 0.0454 0.0971
Loa Loa (eye worm) hypothetical protein 0.003 0.0293 0.0302
Leishmania major cytochrome p450-like protein 0.0059 0.0871 0.3769
Echinococcus granulosus Sugar transporter ERD6 protein 0.0017 0.0042 0.0015
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0306 0.2742
Brugia malayi Bromodomain containing protein 0.0037 0.0441 0.0414
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0059 0.0871 0.3769
Loa Loa (eye worm) hypothetical protein 0.0069 0.1068 0.1103
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0064 0.0977 1
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0182 0.3324 0.4236
Schistosoma mansoni protein kinase 0.0037 0.0444 0.1256
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0128 0.2241 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.0608 0.1752
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0037 0.0444 0.0532
Schistosoma mansoni hypothetical protein 0.0122 0.2128 0.6368
Echinococcus multilocularis synaptic vesicle 2 protein 0.0017 0.0042 0.0015
Plasmodium vivax lysine--tRNA ligase, putative 0.0027 0.0243 0.0201
Schistosoma mansoni lysyl-tRNA synthetase 0.0027 0.0243 0.0644
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0059 0.0871 0.3769
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0059 0.0871 0.3769
Plasmodium falciparum calcium-dependent protein kinase 3 0.0037 0.0445 0.0404
Trypanosoma brucei glucose transporter, putative 0.0038 0.0454 0.4284
Loa Loa (eye worm) hypothetical protein 0.0017 0.0042 0.0044
Leishmania major glucose transporter, lmgt3 0.0038 0.0454 0.1871
Echinococcus granulosus zinc finger protein 0.0019 0.008 0.0063
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0059 0.0871 0.3769
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0059 0.0871 0.3769
Loa Loa (eye worm) hypothetical protein 0.0017 0.0042 0.0044
Chlamydia trachomatis lysine--tRNA ligase 0.0027 0.0243 0.5
Leishmania major protein kinase, putative 0.0037 0.0444 0.1828
Echinococcus granulosus cytochrome P450 2K1 0.0059 0.0871 0.1081
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0037 0.0444 0.0459
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0059 0.0871 0.3769
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0027 0.0243 0.2087
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0278 0.0751
Echinococcus granulosus synaptic vesicle 2 protein 0.0017 0.0042 0.0015
Schistosoma mansoni hypothetical protein 0.0059 0.0871 0.2552
Brugia malayi Cytochrome P450 family protein 0.0059 0.0871 0.0859
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0032 0.034 0.2523
Leishmania major cytochrome p450-like protein 0.0059 0.0871 0.3769
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0043 0.0044
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0564 0.1619
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0059 0.0871 0.3769
Schistosoma mansoni glucose transporter 0.0017 0.0042 0.0035
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0113 0.1949 0.2012
Echinococcus granulosus lipoxygenase domain containing protein 0.0023 0.0166 0.0175
Loa Loa (eye worm) hypothetical protein 0.0017 0.0042 0.0044
Entamoeba histolytica hypothetical protein 0.0043 0.0564 0.4374
Schistosoma mansoni inositol monophosphatase 0.0036 0.0415 0.1167
Echinococcus multilocularis lipoxygenase domain containing protein 0.0023 0.0166 0.0175
Leishmania major lysyl-tRNA synthetase, putative 0.0027 0.0243 0.0912
Onchocerca volvulus 0.0023 0.0166 0.0293
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0503 0.9684 1
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0064 0.0977 0.2874
Onchocerca volvulus 0.0023 0.0166 0.0293
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0059 0.0871 0.3769
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0037 0.0444 0.0532
Loa Loa (eye worm) hypothetical protein 0.004 0.0489 0.0504
Mycobacterium ulcerans aldehyde dehydrogenase 0.0128 0.2241 1
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0043 0.055 0.5285
Brugia malayi Pre-SET motif family protein 0.0203 0.3724 0.3818
Trypanosoma cruzi cytochrome P450, putative 0.0059 0.0871 0.863
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0027 0.0243 0.0912
Loa Loa (eye worm) cytochrome P450 family protein 0.0059 0.0871 0.0899
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0182 0.3324 0.4236
Schistosoma mansoni hypothetical protein 0.0043 0.0564 0.1619
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0415 0.3881
Echinococcus multilocularis tumor protein p63 0.0408 0.7804 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0121 0.2111 0.2145
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0182 0.3324 0.4236
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0306 0.2742
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0887 0.2601
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0306 0.2742
Loa Loa (eye worm) hypothetical protein 0.0017 0.0042 0.0044
Entamoeba histolytica protein kinase, putative 0.0037 0.0444 0.2743
Loa Loa (eye worm) hypothetical protein 0.0017 0.0042 0.0044
Brugia malayi cytochrome P450 0.0059 0.0871 0.0859
Schistosoma mansoni hypothetical protein 0.002 0.01 0.021
Loa Loa (eye worm) hypothetical protein 0.0018 0.0065 0.0067
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0182 0.3324 0.4236
Schistosoma mansoni zinc finger protein 0.0019 0.008 0.0148
Trichomonas vaginalis sugar transporter, putative 0.0038 0.0454 0.0971
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0306 0.0264
Trypanosoma cruzi hexose transporter, putative 0.0038 0.0454 0.4284
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0059 0.0871 0.3769
Loa Loa (eye worm) hypothetical protein 0.0017 0.0042 0.0044
Mycobacterium leprae putative cytochrome p450 0.0059 0.0871 1
Toxoplasma gondii cytochrome p450 superfamily protein 0.0059 0.0871 0.1272
Plasmodium falciparum calcium-dependent protein kinase 1 0.0037 0.0445 0.0404
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0182 0.3324 1
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0415 0.0494
Brugia malayi hypothetical protein 0.0023 0.0166 0.0129
Schistosoma mansoni bromodomain containing protein 0.0062 0.0924 0.2713
Echinococcus granulosus solute carrier family 22 0.0017 0.0042 0.0015
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0059 0.0871 0.3769
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0047 0.0639 0.0782
Trypanosoma brucei glucose transporter, putative 0.0038 0.0454 0.4284
Loa Loa (eye worm) hypothetical protein 0.0018 0.0065 0.0067
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.034 0.1355
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0059 0.0871 0.3769
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.014 0.2485 0.3157
Echinococcus granulosus arachidonate 5 lipoxygenase 0.014 0.2485 0.3157
Schistosoma mansoni glucose transport protein 0.0122 0.2128 0.6368
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0027 0.0243 0.2087
Loa Loa (eye worm) PHD-finger family protein 0.002 0.01 0.0103
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0059 0.0871 0.3769
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0059 0.0871 0.3769
Plasmodium falciparum calcium-dependent protein kinase 4 0.0037 0.0445 0.0404
Echinococcus multilocularis General substrate transporter 0.0105 0.1787 0.2259
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0415 0.088
Schistosoma mansoni inositol monophosphatase 0.0036 0.0415 0.1167
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0024 0.0176 0.0315
Echinococcus granulosus Polycystic kidney disease protein 0.0023 0.0166 0.0175
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0059 0.0871 0.3769
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0415 0.3881
Loa Loa (eye worm) doublecortin family protein 0.0023 0.0166 0.0172
Loa Loa (eye worm) hypothetical protein 0.0182 0.3324 0.3432
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0128 0.2241 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0064 0.0977 0.1217
Loa Loa (eye worm) sugar transporter 0.0122 0.2128 0.2197
Trypanosoma brucei glucose transporter, putative 0.0038 0.0454 0.4284
Brugia malayi PHD-finger family protein 0.0024 0.0183 0.0145
Echinococcus granulosus tumor protein p63 0.0408 0.7804 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0042 0.0044
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0121 0.2111 0.9408
Echinococcus granulosus histone lysine methyltransferase setb 0.0046 0.0608 0.0742
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0059 0.0871 0.3769
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0037 0.0429 0.0401
Brugia malayi lysyl-tRNA synthetase 0.0027 0.0243 0.0208
Brugia malayi hypothetical protein 0.0043 0.0564 0.0541
Brugia malayi Cytochrome P450 family protein 0.0185 0.3367 0.3448
Plasmodium falciparum lysine--tRNA ligase 0.0027 0.0243 0.0201
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0037 0.0429 0.0913
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.0855 0.106
Schistosoma mansoni lipoxygenase 0.0098 0.1647 0.4908
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0278 0.0751
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0278 0.0318
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0415 0.1695
Loa Loa (eye worm) hypothetical protein 0.006 0.0887 0.0916
Echinococcus multilocularis RUN 0.0023 0.0166 0.0175
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0066 0.1003 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0122 0.2128 0.2698
Loa Loa (eye worm) hypothetical protein 0.0017 0.0042 0.0044
Loa Loa (eye worm) sugar transporter 0.0017 0.0042 0.0044
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0037 0.0429 0.0513
Loa Loa (eye worm) hypothetical protein 0.0023 0.0166 0.0172
Toxoplasma gondii protein kinase, putative 0.0345 0.6557 1
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0037 0.0445 0.0617
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0059 0.0871 0.3769
Trichomonas vaginalis CAMK family protein kinase 0.0037 0.0444 0.0948
Echinococcus multilocularis solute carrier family 22 0.0017 0.0042 0.0015
Brugia malayi Doublecortin family protein 0.0023 0.0166 0.0129
Trypanosoma brucei glucose transporter, putative 0.0038 0.0454 0.4284
Echinococcus granulosus lipoxygenase domain containing protein 0.0023 0.0166 0.0175
Loa Loa (eye worm) hypothetical protein 0.0023 0.0166 0.0172
Echinococcus granulosus lysyl tRNA synthetase 0.0027 0.0243 0.0273
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0059 0.0871 0.863
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0059 0.0871 0.863
Trypanosoma cruzi hexose transporter, putative 0.0038 0.0454 0.4284
Schistosoma mansoni sugar transporter 0.0017 0.0042 0.0035
Trypanosoma brucei cytochrome P450, putative 0.0059 0.0871 0.863
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0059 0.0871 0.863
Toxoplasma gondii hypothetical protein 0.0018 0.0065 0.0035
Echinococcus multilocularis lipoxygenase domain containing protein 0.0023 0.0166 0.0175
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.3724 0.3845
Schistosoma mansoni serine/threonine protein kinase 0.0037 0.0444 0.1256
Plasmodium vivax multidomain scavenger receptor, putative 0.0023 0.0166 0.0125
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0037 0.0444 0.0532
Trypanosoma brucei THT1 - hexose transporter, putative 0.0038 0.0454 0.4284
Schistosoma mansoni protein kinase 0.0037 0.0444 0.1256
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0037 0.0429 0.121
Echinococcus multilocularis solute carrier family 22 0.0017 0.0042 0.0015
Trypanosoma cruzi hexose transporter, putative 0.0038 0.0454 0.4284
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0182 0.3324 0.4236
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0122 0.2128 0.2698
Echinococcus multilocularis calcium dependent protein kinase 0.0035 0.0398 0.0473
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0037 0.0444 0.0459
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0197 0.3622 0.3595
Loa Loa (eye worm) hypothetical protein 0.0037 0.0444 0.0459
Loa Loa (eye worm) major facilitator superfamily transporter 0.0017 0.0042 0.0044
Trypanosoma brucei glucose transporter 1E 0.0038 0.0454 0.4284
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0182 0.3324 1
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0037 0.0429 0.3775
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0043 0.055 0.2308
Plasmodium vivax CDK-related protein kinase 6, putative 0.0519 1 1
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0059 0.0871 0.3769
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0121 0.2111 0.6318
Plasmodium falciparum calcium-dependent protein kinase 2 0.0037 0.0445 0.0404
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0454 0.0971
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0046 0.0608 0.0742
Echinococcus multilocularis Sugar transporter ERD6 protein 0.0017 0.0042 0.0015
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0306 0.0264
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0977 0.9734
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0059 0.0871 0.3769
Giardia lamblia Lysyl-tRNA synthetase 0.0027 0.0243 0.5182
Trichomonas vaginalis glucose transporter, putative 0.0038 0.0454 0.0971
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0059 0.0871 0.3769
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0023 0.0161 0.054
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0037 0.0445 0.0617
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0059 0.0871 0.3769
Echinococcus granulosus solute carrier family 22 0.0017 0.0042 0.0015
Brugia malayi hypothetical protein 0.002 0.0091 0.0051
Schistosoma mansoni rab6-interacting 0.0023 0.0166 0.0412
Toxoplasma gondii aldehyde dehydrogenase 0.0128 0.2241 0.3375
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.0608 0.1752
Loa Loa (eye worm) hypothetical protein 0.003 0.0306 0.0316
Brugia malayi Sugar transporter family protein 0.0122 0.2128 0.2163
Loa Loa (eye worm) major facilitator superfamily transporter 0.0017 0.0042 0.0044
Entamoeba histolytica hypothetical protein 0.0043 0.0564 0.4374
Mycobacterium leprae Conserved hypothetical protein 0.0059 0.0871 1
Plasmodium falciparum hexose transporter 0.0122 0.2128 0.2094
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0396 0.0469
Trypanosoma brucei THT1 - hexose transporter, putative 0.0038 0.0454 0.4284
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0182 0.3324 0.3403
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0059 0.0871 0.3769
Loa Loa (eye worm) hypothetical protein 0.0046 0.0608 0.0628
Plasmodium falciparum proline--tRNA ligase 0.0043 0.055 0.051
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0064 0.0977 0.1009
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0037 0.0444 0.0532
Loa Loa (eye worm) inositol-1 0.0036 0.0415 0.0429
Schistosoma mansoni voltage-gated cation channel 0.0182 0.3324 1
Trypanosoma brucei glucose transporter, putative 0.0038 0.0454 0.4284
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0415 0.0494
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0137 0.0137
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0977 0.9734
Trypanosoma cruzi hexose transporter 0.0038 0.0454 0.4284
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0059 0.0871 0.3769
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0064 0.0977 0.0969
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0977 0.9734
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0043 0.055 0.5285
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0306 0.0404
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.0017 0.0042 0.0035
Trypanosoma brucei THT1 - hexose transporter, putative 0.0038 0.0454 0.4284
Onchocerca volvulus 0.006 0.0887 0.1994

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] 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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