Detailed information for compound 1368259

Basic information

Technical information
  • TDR Targets ID: 1368259
  • Name: tert-butyl 4-[3-[1-[(2S)-3-(4-hydroxyphenyl)- 1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl ]triazol-4-yl]-5-[1-[(2S)-3-(1H-indol-3-yl)-1 -methoxy-1-oxopropan-2-yl]triazol-4-yl]benzoy l]piperazine-1-carboxylate
  • MW: 845.942 | Formula: C45H51N9O8
  • H donors: 2 H acceptors: 9 LogP: 5.68 Rotable bonds: 18
    Rule of 5 violations (Lipinski): 2
  • SMILES: COC(=O)[C@@H](n1nnc(c1)c1cc(cc(c1)c1nnn(c1)[C@H](C(=O)OC(C)(C)C)Cc1ccc(cc1)O)C(=O)N1CCN(CC1)C(=O)OC(C)(C)C)Cc1c[nH]c2c1cccc2
  • InChi: 1S/C45H51N9O8/c1-44(2,3)61-42(58)38(20-28-12-14-33(55)15-13-28)53-26-36(47-49-53)29-21-30(23-31(22-29)40(56)51-16-18-52(19-17-51)43(59)62-45(4,5)6)37-27-54(50-48-37)39(41(57)60-7)24-32-25-46-35-11-9-8-10-34(32)35/h8-15,21-23,25-27,38-39,46,55H,16-20,24H2,1-7H3/t38-,39-/m0/s1
  • InChiKey: DONOYQSOADMEAJ-YDAXCOIMSA-N  


Substructure search Similarity search

Network

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Synonyms

  • tert-butyl 4-[3-[1-[(1S)-2-tert-butoxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]triazol-4-yl]-5-[1-[(1S)-1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxo-ethyl]triazol-4-yl]benzoyl]piperazine-1-carboxylate
  • 4-[[3-[1-[(1S)-2-tert-butoxy-1-[(4-hydroxyphenyl)methyl]-2-oxoethyl]-4-triazolyl]-5-[1-[(1S)-1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxoethyl]-4-triazolyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester
  • 4-[3-[1-[(1S)-2-tert-butoxy-1-(4-hydroxybenzyl)-2-keto-ethyl]triazol-4-yl]-5-[1-[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-methoxy-ethyl]triazol-4-yl]benzoyl]piperazine-1-carboxylic acid tert-butyl ester
  • tert-butyl 4-[3-[1-[(2S)-3-(4-hydroxyphenyl)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-propan-2-yl]-1,2,3-triazol-4-yl]-5-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxo-propan-2-yl]-1,2,3-triazol-4-yl]phenyl]carbonylpiperazine-1-carboxylate
  • LU-MONO-WY
  • MLS000560580
  • SMR000327499

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
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
Brugia malayi glutathione reductase 0.0055 0.0044 0.0042
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0024 0.001 0.0007
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0019 0.0004 0.0002
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0024 0.001 0.0005
Brugia malayi Bromodomain containing protein 0.0087 0.0079 0.0078
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0269 0.028 1
Loa Loa (eye worm) PHD-finger family protein 0.0024 0.001 0.0349
Loa Loa (eye worm) bromodomain containing protein 0.002 0.0006 0.0213
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0018 0.0016
Mycobacterium tuberculosis Probable dehydrogenase 0.0125 0.0122 0.0117
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0004 0.0002
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0024 0.001 0.0005
Echinococcus granulosus fetal alzheimer antigen falz 0.0026 0.0012 0.0031
Schistosoma mansoni tar DNA-binding protein 0.0073 0.0065 0.0062
Loa Loa (eye worm) hypothetical protein 0.0045 0.0033 0.116
Loa Loa (eye worm) thioredoxin reductase 0.0055 0.0044 0.1568
Leishmania major cytochrome p450-like protein 0.0034 0.0021 0.0018
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0004 0.0001
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.0047 0.0045
Onchocerca volvulus 0.0031 0.0018 0.5
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0024 0.001 0.0005
Plasmodium vivax thioredoxin reductase, putative 0.0055 0.0044 0.004
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0004 0.0009
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.0021 0.0042
Schistosoma mansoni tar DNA-binding protein 0.0073 0.0065 0.0062
Echinococcus multilocularis lamin dm0 0.0031 0.0018 0.0046
Plasmodium falciparum glutathione reductase 0.0055 0.0044 0.004
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0019 0.0004 0.0001
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.002 0.0005 0.0002
Echinococcus granulosus thioredoxin glutathione reductase 0.0055 0.0044 0.0113
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.9063 1 1
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0024 0.001 0.0005
Brugia malayi Cytochrome P450 family protein 0.0034 0.0021 0.0019
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.3544 0.39 1
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0024 0.001 0.0005
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0139 0.0137 0.0127
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0034 0.0021 0.0017
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0024 0.001 0.0005
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0069 0.006 0.0153
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0004 0.0001
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0024 0.001 0.0007
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0036 0.0023 0.006
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0004 0.0001
Schistosoma mansoni lamin 0.0031 0.0018 0.0015
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0069 0.006 0.0153
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0125 0.0122 0.0117
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0036 0.0023 0.006
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0004 0.0001
Brugia malayi Thioredoxin reductase 0.0055 0.0044 0.0042
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0024 0.001 0.0005
Schistosoma mansoni tar DNA-binding protein 0.0073 0.0065 0.0062
Echinococcus multilocularis zinc finger protein 0.0023 0.0008 0.0022
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0024 0.001 0.0005
Schistosoma mansoni methyl-cpg binding protein mbd 0.002 0.0005 0.0002
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0026 0.0012 0.0031
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0004 0.0126
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0024 0.001 0.0005
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0004 0.0009
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.9063 1 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.3539 0.3895 0.9986
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.9063 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0039 0.0027 0.0024
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0004 0.0001
Leishmania major trypanothione reductase 0.0055 0.0044 0.0041
Echinococcus multilocularis methyl CpG binding domain protein 2 0.002 0.0005 0.0013
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0024 0.001 0.0007
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0019 0.0004 0.5
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0024 0.001 0.0005
Echinococcus multilocularis GPCR, family 2 0.0018 0.0004 0.0009
Echinococcus granulosus GPCR family 2 0.0018 0.0004 0.0009
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0024 0.001 0.0005
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0024 0.001 0.0005
Echinococcus granulosus histone lysine methyltransferase setb 0.002 0.0005 0.0013
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0024 0.001 0.0005
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0004 0.0009
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0042 0.0029 0.0075
Mycobacterium tuberculosis Probable oxidoreductase 0.0139 0.0137 0.0133
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0024 0.001 0.0005
Echinococcus granulosus lamin dm0 0.0031 0.0018 0.0046
Plasmodium vivax glutathione reductase, putative 0.0055 0.0044 0.004
Loa Loa (eye worm) cytochrome P450 0.0024 0.001 0.0348
Loa Loa (eye worm) TAR-binding protein 0.0073 0.0065 0.2302
Echinococcus granulosus zinc finger protein 0.0023 0.0008 0.0022
Schistosoma mansoni hypothetical protein 0.0018 0.0004 0.0001
Brugia malayi PHD-finger family protein 0.0029 0.0015 0.0013
Trypanosoma cruzi cytochrome P450, putative 0.0034 0.0021 0.0018
Loa Loa (eye worm) hypothetical protein 0.0031 0.0017 0.0616
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0004 0.0009
Toxoplasma gondii cytochrome p450 superfamily protein 0.0024 0.001 0.0005
Echinococcus granulosus cytochrome P450 2K1 0.0024 0.001 0.0025
Mycobacterium tuberculosis Probable reductase 0.0125 0.0122 0.0117
Trypanosoma cruzi trypanothione reductase, putative 0.0019 0.0004 0.0001
Toxoplasma gondii thioredoxin reductase 0.0055 0.0044 0.004
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.1066 0.2732
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.9063 1 1
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.9063 1 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0036 0.0023 0.0829
Brugia malayi intermediate filament protein 0.0031 0.0018 0.0016
Schistosoma mansoni hypothetical protein 0.0018 0.0004 0.0001
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0024 0.001 0.0005
Echinococcus multilocularis musashi 0.0031 0.0018 0.0046
Loa Loa (eye worm) hypothetical protein 0.0031 0.0018 0.0638
Loa Loa (eye worm) hypothetical protein 0.004 0.0027 0.0964
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0024 0.001 0.0005
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0004 0.0001
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0125 0.0122 0.0117
Schistosoma mansoni hypothetical protein 0.004 0.0027 0.0024
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.002 0.0005 0.0013
Schistosoma mansoni methyl-cpg binding protein mbd 0.002 0.0005 0.0002
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0024 0.001 0.0005
Plasmodium falciparum dihydroorotate dehydrogenase 0.9063 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0018 0.0641
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0024 0.001 0.0005
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0004 0.0001
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0139 0.0137 0.0133
Schistosoma mansoni hypothetical protein 0.0018 0.0004 0.0001
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0024 0.001 0.0005
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.0021 0.0042
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.0047 0.1685
Loa Loa (eye worm) RNA binding protein 0.0073 0.0065 0.2302
Schistosoma mansoni hypothetical protein 0.0018 0.0004 0.0001
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0024 0.001 0.0005
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0125 0.0122 0.0117
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.3539 0.3895 0.3893
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0024 0.001 0.0005
Schistosoma mansoni lamin 0.0031 0.0018 0.0015
Echinococcus multilocularis 0.0024 0.001 0.0025
Leishmania major cytochrome p450-like protein 0.0024 0.001 0.0007
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0019 0.0004 0.0011
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0024 0.001 0.0005
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.9063 1 1
Trypanosoma brucei cytochrome P450, putative 0.0034 0.0021 0.0018
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.9063 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0073 0.0065 0.2302
Loa Loa (eye worm) glutathione reductase 0.0055 0.0044 0.1568
Loa Loa (eye worm) hypothetical protein 0.0047 0.0036 0.1268
Brugia malayi cytochrome P450 0.0024 0.001 0.0008
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0024 0.001 0.0005
Schistosoma mansoni tar DNA-binding protein 0.0073 0.0065 0.0062
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0024 0.001 0.0007
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0024 0.001 0.0005
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.002 0.0005 0.0002
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0018 0.0638
Plasmodium falciparum thioredoxin reductase 0.0055 0.0044 0.004
Brugia malayi Bromodomain containing protein 0.0044 0.0032 0.0031
Brugia malayi Zinc finger, C2H2 type family protein 0.3539 0.3895 0.3893
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0024 0.001 0.0005
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0036 0.0023 0.0021
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0024 0.001 0.0005
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0042 0.0029 0.0075
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.3544 0.39 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0004 0.0001
Schistosoma mansoni hypothetical protein 0.0024 0.001 0.0007
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0004 0.0001
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0019 0.0004 0.0001
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.3544 0.39 1
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0024 0.001 0.0005
Loa Loa (eye worm) hypothetical protein 0.0018 0.0004 0.0126
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0024 0.001 0.0005
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.9063 1 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0055 0.0044 0.0113
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0055 0.0044 0.004
Brugia malayi RNA recognition motif domain containing protein 0.0073 0.0065 0.0063
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.0047 0.0045
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0026 0.0012 0.0009
Schistosoma mansoni intermediate filament proteins 0.0031 0.0018 0.0015
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0004 0.0002
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.3539 0.3895 0.9986
Loa Loa (eye worm) hypothetical protein 0.002 0.0005 0.0185
Schistosoma mansoni dihydroorotate dehydrogenase 0.9063 1 1
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0024 0.001 0.0005
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.3539 0.3895 0.9986
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.3544 0.39 0.5
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.9063 1 1
Onchocerca volvulus 0.0031 0.0018 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0034 0.0021 0.0748
Echinococcus granulosus lamin 0.0031 0.0018 0.0046
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0024 0.001 0.0005
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0018 0.0638
Brugia malayi RNA binding protein 0.0073 0.0065 0.0063
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.3544 0.39 1
Echinococcus multilocularis tar DNA binding protein 0.0073 0.0065 0.0165
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0125 0.0122 0.0117
Schistosoma mansoni voltage-gated potassium channel 0.0039 0.0027 0.0024
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0024 0.001 0.0005
Loa Loa (eye worm) hypothetical protein 0.0082 0.0074 0.264
Loa Loa (eye worm) cytochrome P450 family protein 0.0068 0.0059 0.2089
Giardia lamblia NADH oxidase lateral transfer candidate 0.0019 0.0004 0.5
Trypanosoma brucei trypanothione reductase 0.0055 0.0044 0.0041
Loa Loa (eye worm) cytochrome P450 family protein 0.0034 0.0021 0.0748
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0019 0.0004 0.0001
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0004 0.0001
Loa Loa (eye worm) hypothetical protein 0.0058 0.0047 0.1685
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0024 0.001 0.0005
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0024 0.001 0.0005
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0019 0.0004 0.0001
Brugia malayi follicle stimulating hormone receptor 0.0269 0.028 0.0278
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0024 0.001 0.0005
Echinococcus granulosus intermediate filament protein 0.0031 0.0018 0.0046
Leishmania major cytochrome p450-like protein 0.0024 0.001 0.0007
Loa Loa (eye worm) hypothetical protein 0.0049 0.0038 0.1356
Brugia malayi Cytochrome P450 family protein 0.0034 0.0021 0.0019
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0019 0.0004 0.0001
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0002 0.0066
Trypanosoma cruzi cytochrome P450, putative 0.0034 0.0021 0.0018
Schistosoma mansoni tar DNA-binding protein 0.0073 0.0065 0.0062
Brugia malayi Cytochrome P450 family protein 0.0024 0.001 0.0008
Leishmania major dihydroorotate dehydrogenase 0.9063 1 1
Schistosoma mansoni cytochrome P450 0.0024 0.001 0.0007
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.3544 0.39 1
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0024 0.001 0.0005
Schistosoma mansoni zinc finger protein 0.0023 0.0008 0.0005
Brugia malayi TAR-binding protein 0.0073 0.0065 0.0063
Loa Loa (eye worm) CYP4Cod1 0.0034 0.0021 0.0748
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0024 0.001 0.0005
Schistosoma mansoni hypothetical protein 0.0024 0.001 0.0007
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.3544 0.39 1
Schistosoma mansoni bromodomain containing protein 0.0073 0.0064 0.0062
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.9063 1 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0125 0.0122 0.0112
Trypanosoma cruzi trypanothione reductase, putative 0.0055 0.0044 0.0041
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.3539 0.3895 0.9986
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0024 0.001 0.0007
Treponema pallidum NADH oxidase 0.0019 0.0004 0.5
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.9063 1 1
Brugia malayi Cytochrome P450 family protein 0.0068 0.0059 0.0057
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0139 0.0137 0.0133
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0024 0.001 0.0005
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0004 0.0001
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0024 0.001 0.0005
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0019 0.0004 0.0011
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0024 0.001 0.0005
Echinococcus granulosus tar DNA binding protein 0.0073 0.0065 0.0165
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0024 0.001 0.0005
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0004 0.0001
Echinococcus granulosus methyl CpG binding domain protein 2 0.002 0.0005 0.0013
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.0027 0.0025
Echinococcus multilocularis lamin 0.0031 0.0018 0.0046

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.1689 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) 1.4575 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 8.2753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 22.3872 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) = 28.1838 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) 100 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.

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