Detailed information for compound 1647977

Basic information

Technical information
  • TDR Targets ID: 1647977
  • Name: tert-butyl 4-[[1-[(1-methoxy-2-methyl-1-oxopr opan-2-yl)amino]-2-methyl-1-oxopropan-2-yl]am ino]-3-[(2-methylpropan-2-yl)oxycarbonylamino ]-4-oxobutanoate
  • MW: 473.56 | Formula: C22H39N3O8
  • H donors: 3 H acceptors: 5 LogP: 1.56 Rotable bonds: 16
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C(NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)(C)C)(C)C
  • InChi: 1S/C22H39N3O8/c1-19(2,3)32-14(26)12-13(23-18(30)33-20(4,5)6)15(27)24-21(7,8)16(28)25-22(9,10)17(29)31-11/h13H,12H2,1-11H3,(H,23,30)(H,24,27)(H,25,28)
  • InChiKey: PQBACKCLKSQGSD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • tert-butyl 3-(tert-butoxycarbonylamino)-4-[[2-[(2-methoxy-1,1-dimethyl-2-oxo-ethyl)amino]-1,1-dimethyl-2-oxo-ethyl]amino]-4-oxo-butanoate
  • 3-[(tert-butoxy-oxomethyl)amino]-4-[[2-[(2-methoxy-1,1-dimethyl-2-oxoethyl)amino]-1,1-dimethyl-2-oxoethyl]amino]-4-oxobutanoic acid tert-butyl ester
  • 3-(tert-butoxycarbonylamino)-4-keto-4-[[2-keto-2-[(2-keto-2-methoxy-1,1-dimethyl-ethyl)amino]-1,1-dimethyl-ethyl]amino]butyric acid tert-butyl ester
  • tert-butyl 4-[[1-[(1-methoxy-2-methyl-1-oxo-propan-2-yl)amino]-2-methyl-1-oxo-propan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-butanoate
  • AIDS145252
  • Methyl 6-(2-tert-butoxy-2-oxoethyl)-2,2,9,9,12,12-hexamethyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oate
  • NSC669750
  • NCI60_024391
  • AIDS-145252

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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) nuclear hormone receptor family member nhr-40 0.0339 0.2859 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0339 0.2859 1
Brugia malayi nuclear hormone receptor 0.016 0.1316 0.4604
Brugia malayi Nuclear hormone receptor E75 0.016 0.1316 0.4604
Loa Loa (eye worm) hypothetical protein 0.0179 0.1482 0.5182
Schistosoma mansoni coup transcription factor 0.0339 0.2859 0.2859
Echinococcus multilocularis ecdysone induced protein 78C 0.0339 0.2859 0.3801
Loa Loa (eye worm) hypothetical protein 0.016 0.1316 0.4604
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0009 0.0013 1
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0014 0.0056 0.1294
Trichomonas vaginalis conserved hypothetical protein 0.0009 0.0013 0.9994
Echinococcus granulosus replication factor c subunit 1 0.0009 0.0013 0.0025
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.016 0.1316 0.175
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0028 0.0176 0.0343
Plasmodium falciparum replication factor C subunit 1, putative 0.0009 0.0013 0.5
Echinococcus granulosus Nuclear hormone receptor HR96 0.016 0.1316 0.2561
Brugia malayi F/Y-rich N-terminus family protein 0.0008 0.0005 0.0017
Schistosoma mansoni retinoic acid receptor RXR 0.0339 0.2859 0.2859
Schistosoma mansoni methyltransferase-related 0.0008 0.0009 0.0009
Toxoplasma gondii type I fatty acid synthase, putative 0.0029 0.0186 0.5153
Onchocerca volvulus Huntingtin homolog 0.0107 0.0862 0.2984
Mycobacterium ulcerans polyketide synthase 0.0029 0.0186 0.6357
Mycobacterium ulcerans thioesterase TesA 0.0023 0.0133 0.443
Echinococcus granulosus microtubule associated protein 2 0.0603 0.514 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.0862 0.3015
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0339 0.2859 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0087 0.069 0.2414
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0339 0.2859 1
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0009 0.0013 0.9994
Schistosoma mansoni hypothetical protein 0.0028 0.0176 0.0176
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0339 0.2859 0.3801
Echinococcus granulosus Nuclear hormone receptor HR96 0.016 0.1316 0.2561
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0339 0.2859 0.3801
Schistosoma mansoni zinc finger protein 0.016 0.1316 0.1316
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0339 0.2859 0.5562
Schistosoma mansoni nuclear receptor nhr-48 0.016 0.1316 0.1316
Loa Loa (eye worm) hypothetical protein 0.0028 0.0176 0.0617
Brugia malayi Steroid receptor seven-up type 2 0.0339 0.2859 1
Brugia malayi conserved hypotetical protein 0.016 0.1316 0.4604
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0009 0.0019 0.0356
Loa Loa (eye worm) nuclear receptor nhr-7B 0.016 0.1316 0.4604
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0087 0.069 0.2414
Schistosoma mansoni hypothetical protein 0.0028 0.0176 0.0176
Schistosoma mansoni nuclear receptor 0.016 0.1316 0.1316
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0339 0.2859 1
Loa Loa (eye worm) nuclear hormone receptor 0.016 0.1316 0.4604
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0339 0.2859 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0339 0.2859 0.5562
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0009 0.0013 0.0039
Trypanosoma cruzi FHA domain containing protein, putative 0.0009 0.0013 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0339 0.2859 0.2859
Loa Loa (eye worm) hypothetical protein 0.016 0.1316 0.4604
Loa Loa (eye worm) hypothetical protein 0.0339 0.2859 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0339 0.2859 1
Brugia malayi nuclear receptor NHR-67 0.016 0.1316 0.4604
Brugia malayi nuclear receptor NHR-88 0.0339 0.2859 1
Schistosoma mansoni cellular tumor antigen P53 0.0054 0.0401 0.0401
Loa Loa (eye worm) hypothetical protein 0.0179 0.1482 0.5182
Schistosoma mansoni cpg binding protein 0.0025 0.0155 0.0155
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0026 0.0164 0.5599
Brugia malayi hypothetical protein 0.0179 0.1482 0.5182
Echinococcus granulosus cpg binding protein 0.0027 0.0168 0.0326
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0027 0.0172 0.581
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0029 0.0186 0.6376
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0339 0.2859 1
Schistosoma mansoni hypothetical protein 0.006 0.0452 0.0452
Loa Loa (eye worm) hypothetical protein 0.0015 0.0069 0.0242
Schistosoma mansoni nuclear receptor 0.016 0.1316 0.1316
Loa Loa (eye worm) nuclear receptor NHR-67 0.016 0.1316 0.4604
Brugia malayi Nuclear hormone receptor E75 0.016 0.1316 0.4604
Loa Loa (eye worm) hypothetical protein 0.0339 0.2859 1
Trichomonas vaginalis conserved hypothetical protein 0.0009 0.0013 0.9994
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0023 0.0133 0.4398
Mycobacterium ulcerans fatty acid synthase Fas 0.0008 0.0012 0.0056
Mycobacterium tuberculosis Probable thioesterase TesA 0.0023 0.0133 0.4459
Loa Loa (eye worm) hypothetical protein 0.0179 0.1482 0.5182
Onchocerca volvulus 0.0054 0.0401 0.1364
Loa Loa (eye worm) hypothetical protein 0.016 0.1316 0.4604
Schistosoma mansoni cpg binding protein 0.0027 0.0168 0.0168
Onchocerca volvulus 0.0047 0.0344 0.1163
Echinococcus multilocularis tumor protein p63 0.0367 0.3099 0.4119
Trypanosoma cruzi hypothetical protein, conserved 0.0009 0.0013 0.5
Echinococcus granulosus GPCR family 2 0.0028 0.0176 0.0343
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0009 0.0013 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0179 0.1482 0.5182
Schistosoma mansoni RAR-like nuclear receptor 0.0339 0.2859 0.2859
Onchocerca volvulus Huntingtin homolog 0.0107 0.0862 0.2984
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0018 0.009 0.2287
Onchocerca volvulus 0.016 0.1316 0.4579
Mycobacterium leprae Probable polyketide synthase Pks1 0.0029 0.0186 0.6337
Echinococcus granulosus nibrin 0.0009 0.0013 0.0025
Loa Loa (eye worm) hypothetical protein 0.016 0.1316 0.4604
Brugia malayi tailless protein 0.016 0.1316 0.4604
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0019 0.0106 0.3495
Loa Loa (eye worm) transcription factor SMAD2 0.0104 0.0839 0.2933
Onchocerca volvulus Protein ultraspiracle homolog 0.0339 0.2859 1
Schistosoma mansoni topbp1 0.0009 0.0013 0.0013
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.016 0.1316 0.4579
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0029 0.0186 0.6376
Loa Loa (eye worm) fatty acid synthase 0.0027 0.0168 0.0589
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0339 0.2859 0.5562
Brugia malayi photoreceptor-specific nuclear receptor 0.0339 0.2859 1
Echinococcus granulosus FTZ F1 alpha 0.0339 0.2859 0.5562
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0026 0.0164 0.5599
Mycobacterium ulcerans Type I modular polyketide synthase 0.0027 0.0172 0.5834
Toxoplasma gondii ATPase, AAA family protein 0.0009 0.0013 0.0000077403
Loa Loa (eye worm) hypothetical protein 0.0107 0.0862 0.3015
Brugia malayi nuclear receptor NHR-88 0.016 0.1316 0.4604
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0029 0.0186 0.6337
Loa Loa (eye worm) hypothetical protein 0.016 0.1316 0.4604
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0339 0.2859 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0339 0.2859 0.5562
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0028 0.0176 0.0235
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0027 0.0172 0.5834
Mycobacterium ulcerans polyketide synthase 0.0027 0.0172 0.5834
Mycobacterium ulcerans Type I modular polyketide synthase 0.0027 0.0172 0.5834
Loa Loa (eye worm) hypothetical protein 0.016 0.1316 0.4604
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0162 0.1332 0.2592
Echinococcus multilocularis Nuclear hormone receptor HR96 0.016 0.1316 0.175
Mycobacterium ulcerans Type I modular polyketide synthase 0.0027 0.0172 0.5834
Onchocerca volvulus 0.0025 0.0155 0.05
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0027 0.0172 0.5856
Loa Loa (eye worm) hypothetical protein 0.016 0.1316 0.4604
Toxoplasma gondii histone lysine methyltransferase SET1 0.0048 0.0349 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0013 0.0045
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0339 0.2859 1
Loa Loa (eye worm) hypothetical protein 0.016 0.1316 0.4604
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0179 0.1482 0.5182
Echinococcus multilocularis microtubule associated protein 2 0.0603 0.514 0.6833
Brugia malayi hypothetical protein 0.0179 0.1482 0.5182
Schistosoma mansoni hypothetical protein 0.0028 0.0176 0.0176
Schistosoma mansoni microtubule-associated protein tau 0.0603 0.514 0.514
Brugia malayi ecdysone receptor 0.016 0.1316 0.4604
Echinococcus granulosus thyroid hormone receptor alpha 0.016 0.1316 0.2561
Onchocerca volvulus Fatty acid synthase homolog 0.0049 0.0358 0.1214
Brugia malayi Nuclear hormone receptor-like 1 0.0179 0.1482 0.5182
Brugia malayi hypothetical protein 0.016 0.1316 0.4604
Onchocerca volvulus Bile acid receptor homolog 0.0339 0.2859 1
Mycobacterium tuberculosis Polyketide synthetase MbtD (polyketide synthase) 0.0008 0.001 0.0052
Echinococcus multilocularis FTZ F1 alpha 0.0339 0.2859 0.3801
Brugia malayi nuclear hormone receptor family member nhr-6 0.016 0.1316 0.4604
Brugia malayi Pax transcription activation domain interacting protein 0.0009 0.0013 0.0045
Schistosoma mansoni hypothetical protein 0.0358 0.3022 0.3022
Echinococcus granulosus ecdysone induced protein 78C 0.0339 0.2859 0.5562
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0179 0.1482 0.1482
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0162 0.1332 0.1771
Mycobacterium ulcerans polyketide synthase Pks13 0.004 0.0287 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0339 0.2859 0.3801
Echinococcus granulosus nuclear receptor nhr 48 0.016 0.1316 0.2561
Echinococcus multilocularis replication factor c subunit 1 0.0009 0.0013 0.0017
Trichomonas vaginalis conserved hypothetical protein 0.0009 0.0013 0.9994
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0029 0.0186 0.6357
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0179 0.1482 0.2882
Loa Loa (eye worm) hypothetical protein 0.0009 0.0013 0.0045
Loa Loa (eye worm) hypothetical protein 0.0221 0.1846 0.6457
Onchocerca volvulus 0.016 0.1316 0.4579
Loa Loa (eye worm) hypothetical protein 0.0339 0.2859 1
Chlamydia trachomatis DNA ligase 0.0009 0.0013 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0339 0.2859 0.2859
Loa Loa (eye worm) CXXC zinc finger family protein 0.0025 0.0155 0.0543
Echinococcus multilocularis Nuclear hormone receptor HR96 0.016 0.1316 0.175
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0339 0.2859 1
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0027 0.0172 0.5856
Treponema pallidum DNA ligase (lig) 0.0009 0.0013 0.5
Loa Loa (eye worm) hypothetical protein 0.0339 0.2859 1
Brugia malayi DKFZp564C0469 protein 0.0009 0.0013 0.0045
Brugia malayi nuclear hormone receptor family member odr-7 0.016 0.1316 0.4604
Brugia malayi hypothetical protein 0.016 0.1316 0.4604
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0339 0.2859 0.2859
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0051 0.038 0.1329
Loa Loa (eye worm) steroid hormone receptor 0.0339 0.2859 1
Loa Loa (eye worm) hypothetical protein 0.0339 0.2859 1
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0029 0.0186 0.6337
Onchocerca volvulus 0.0339 0.2859 1
Echinococcus multilocularis dnaJ subfamily B 0.0358 0.3022 0.4017
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0029 0.0186 0.6357
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.016 0.1316 0.1316
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0339 0.2859 1
Leishmania major hypothetical protein, conserved 0.0008 0.0009 0.5
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0018 0.0093 0.2941
Schistosoma mansoni chromosome transmission fidelity factor 0.0009 0.0013 0.0013
Schistosoma mansoni nuclear hormone receptor 0.0339 0.2859 0.2859
Onchocerca volvulus 0.0025 0.0156 0.0504
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0339 0.2859 0.3801
Brugia malayi latrophilin 2 splice variant baaae 0.006 0.0452 0.1582
Echinococcus granulosus nuclear receptor 2DBD gamma 0.016 0.1316 0.2561
Loa Loa (eye worm) hypothetical protein 0.0009 0.0013 0.0045
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0339 0.2859 0.5562
Brugia malayi Nuclear hormone receptor-like 1 0.0339 0.2859 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0221 0.1846 0.6457
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0053 0.0398 0.0398
Brugia malayi hypothetical protein 0.0009 0.0013 0.0045
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0006 0.0011
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0011 0.0033 0.0864
Loa Loa (eye worm) hypothetical protein 0.0045 0.033 0.1154
Trichomonas vaginalis conserved hypothetical protein 0.0009 0.0013 0.9994
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0339 0.2859 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0022 0.0126 0.4188
Loa Loa (eye worm) hypothetical protein 0.016 0.1316 0.4604
Echinococcus multilocularis thyroid hormone receptor alpha 0.0339 0.2859 0.3801
Echinococcus granulosus dnaJ subfamily B 0.0358 0.3022 0.5879
Loa Loa (eye worm) hypothetical protein 0.0179 0.1482 0.5182
Toxoplasma gondii type I fatty acid synthase, putative 0.0019 0.0104 0.2725
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0339 0.2859 0.2859
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0027 0.0172 0.06
Brugia malayi hypothetical protein 0.0107 0.0862 0.3015
Loa Loa (eye worm) hypothetical protein 0.0009 0.0013 0.0045
Loa Loa (eye worm) hypothetical protein 0.0009 0.0013 0.0045
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0009 0.0013 1
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0015 0.0071 0.224
Schistosoma mansoni topbp1 0.0009 0.0013 0.0013
Trypanosoma cruzi hypothetical protein, conserved 0.0009 0.0013 0.5
Schistosoma mansoni nuclear hormone receptor 0.016 0.1316 0.1316
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0027 0.0172 0.5856
Echinococcus granulosus tumor protein p63 0.0367 0.3099 0.6029
Schistosoma mansoni cpg binding protein 0.0027 0.0168 0.0168
Loa Loa (eye worm) hypothetical protein 0.016 0.1316 0.4604
Schistosoma mansoni thyroid hormone receptor 0.0339 0.2859 0.2859
Echinococcus multilocularis nuclear receptor nhr 48 0.016 0.1316 0.175
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0179 0.1482 0.1969
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0339 0.2859 1
Echinococcus multilocularis nibrin 0.0009 0.0013 0.0017
Brugia malayi nuclear receptor RXR 0.016 0.1316 0.4604
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0156 0.0546
Loa Loa (eye worm) hypothetical protein 0.016 0.1316 0.4604
Brugia malayi ecdysteroid receptor 0.0339 0.2859 1
Brugia malayi steroid hormone receptor 0.0339 0.2859 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0022 0.0126 0.4188
Giardia lamblia Replication factor C, subunit 1 0.0009 0.0013 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0018 0.0093 0.2981
Loa Loa (eye worm) histone methyltransferase 0.0008 0.0006 0.002
Mycobacterium ulcerans thioesterase 0.0023 0.0133 0.443
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0009 0.0013 0.0045
Mycobacterium tuberculosis Polyketide synthase Pks13 0.004 0.0287 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0339 0.2859 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0339 0.2859 0.2859
Loa Loa (eye worm) hypothetical protein 0.0009 0.0013 0.0045
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0339 0.2859 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0452 0.1582
Loa Loa (eye worm) DR-78 0.016 0.1316 0.4604
Brugia malayi Methyltransferase-like protein 4 0.0008 0.0009 0.0031
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0339 0.2859 1
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0009 0.0013 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0339 0.2859 1
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0009 0.0013 0.0095
Schistosoma mansoni hypothetical protein 0.0028 0.0176 0.0176
Loa Loa (eye worm) hypothetical protein 0.0339 0.2859 1
Mycobacterium leprae Polyketide synthase Pks13 0.004 0.0287 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0339 0.2859 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.016 0.1316 0.4579
Brugia malayi AMP-binding enzyme family protein 0.0008 0.001 0.0036
Brugia malayi topoisomerase 0.0009 0.0013 0.0045
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0009 0.0013 0.5
Brugia malayi nuclear hormone receptor 0.0339 0.2859 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0339 0.2859 1
Schistosoma mansoni thyroid hormone receptor 0.0339 0.2859 0.2859
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0339 0.2859 1
Brugia malayi nuclear receptor RXR 0.0179 0.1482 0.5182
Brugia malayi hypothetical protein 0.0009 0.0013 0.0045
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0339 0.2859 0.2859
Brugia malayi orphan nuclear receptor NR2E1 0.016 0.1316 0.4604
Brugia malayi Latrophilin receptor protein 2 0.0028 0.0176 0.0617
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0029 0.0186 0.6376
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.016 0.1316 0.175
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0339 0.2859 0.5562
Loa Loa (eye worm) hypothetical protein 0.0054 0.0401 0.1403
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0339 0.2859 0.3801
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0027 0.0172 0.581
Brugia malayi CXXC zinc finger family protein 0.0025 0.0155 0.0543
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0022 0.0129 0.4329
Brugia malayi MH2 domain containing protein 0.0104 0.0839 0.2933
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.004 0.0287 1
Loa Loa (eye worm) hypothetical protein 0.016 0.1316 0.4604
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0339 0.2859 0.5562
Trichomonas vaginalis replication factor C large subunit, putative 0.0009 0.0013 1
Loa Loa (eye worm) hypothetical protein 0.0179 0.1482 0.5182
Schistosoma mansoni nuclear hormone receptor 0.016 0.1316 0.1316
Loa Loa (eye worm) acyl carrier protein 0.0012 0.0046 0.016
Loa Loa (eye worm) latrophilin receptor protein 2 0.0028 0.0176 0.0617
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0339 0.2859 0.3801
Loa Loa (eye worm) hypothetical protein 0.0339 0.2859 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0006 0.0008
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.016 0.1316 0.175
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0025 0.0156 0.0546
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.088 0.7523 1
Trichomonas vaginalis conserved hypothetical protein 0.0009 0.0013 0.9994
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0022 0.0126 0.4155
Loa Loa (eye worm) hypothetical protein 0.016 0.1316 0.4604
Plasmodium vivax replication factor C subunit 1, putative 0.0009 0.0013 0.5
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0008 0.0012 0.0108
Loa Loa (eye worm) hypothetical protein 0.0339 0.2859 1
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.016 0.1316 0.4604
Schistosoma mansoni DNA ligase IV 0.0009 0.0013 0.0013
Mycobacterium ulcerans polyketide synthase Pks9 0.0018 0.0093 0.2981
Echinococcus multilocularis cpg binding protein 0.0027 0.0168 0.0223
Echinococcus multilocularis GPCR, family 2 0.0028 0.0176 0.0235
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.016 0.1316 0.2561
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0179 0.1482 0.1482
Loa Loa (eye worm) MH2 domain-containing protein 0.0104 0.0839 0.2933
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0025 0.0156 0.5305
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0028 0.0176 0.0617
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0009 0.0013 0.5
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0009 0.0013 0.9994
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0339 0.2859 0.2859

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) 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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