Detailed information for compound 372966

Basic information

Technical information
  • TDR Targets ID: 372966
  • Name: 1,3-bis[4-(2-methylpropoxy)phenyl]thiourea
  • MW: 372.524 | Formula: C21H28N2O2S
  • H donors: 2 H acceptors: 0 LogP: 5.69 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(COc1ccc(cc1)NC(=S)Nc1ccc(cc1)OCC(C)C)C
  • InChi: 1S/C21H28N2O2S/c1-15(2)13-24-19-9-5-17(6-10-19)22-21(26)23-18-7-11-20(12-8-18)25-14-16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H2,22,23,26)
  • InChiKey: POJFSTPIFUHNIH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1,3-bis(4-isobutoxyphenyl)thiourea
  • AIDS-080986
  • AIDS080986
  • Bis{[4-(2-methylpropoxy)phenyl]amino}methane-1-thione

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
Mycobacterium tuberculosis Probable reductase 0.0114 0.2742 0.8411
Brugia malayi photoreceptor-specific nuclear receptor 0.0149 0.3887 0.6229
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0045 0.046 0.0553
Brugia malayi nuclear receptor NHR-88 0.0149 0.3887 0.6229
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0149 0.3887 0.6229
Loa Loa (eye worm) nuclear receptor NHR-67 0.007 0.1307 0.1274
Brugia malayi nuclear receptor RXR 0.007 0.1307 0.2053
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0055 0.0789 0.0402
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0149 0.3887 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.1963 0.5002
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.007 0.1307 0.3027
Brugia malayi Dihydrofolate reductase 0.0047 0.0534 0.0802
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0149 0.3887 0.3864
Brugia malayi dihydrofolate reductase family protein 0.0047 0.0534 0.0802
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0149 0.3887 0.6229
Loa Loa (eye worm) cytochrome P450 family protein 0.005 0.0644 0.0608
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0992 0.206
Schistosoma mansoni nuclear receptor 0.007 0.1307 0.3027
Onchocerca volvulus 0.0251 0.7214 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0095 0.0057
Loa Loa (eye worm) hypothetical protein 0.007 0.1307 0.1274
Brugia malayi Nuclear hormone receptor E75 0.007 0.1307 0.2053
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0149 0.3887 0.3864
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.0992 0.2551
Brugia malayi Nuclear hormone receptor-like 1 0.0079 0.1583 0.2501
Brugia malayi Nuclear hormone receptor-like 1 0.0079 0.1583 0.2501
Brugia malayi nuclear receptor RXR 0.0079 0.1583 0.2501
Schistosoma mansoni retinoic acid receptor RXR 0.0149 0.3887 0.9181
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.06 0.091
Echinococcus granulosus nuclear receptor nhr 48 0.007 0.1307 0.3363
Chlamydia trachomatis dihydrofolate reductase 0.0047 0.0534 0.5
Onchocerca volvulus 0.0149 0.3887 0.5346
Loa Loa (eye worm) dihydrofolate reductase 0.0047 0.0534 0.0498
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1963 0.4592
Brugia malayi hypothetical protein 0.0055 0.0789 0.1215
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.06 0.091
Brugia malayi hypothetical protein 0.007 0.1307 0.2053
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0149 0.3887 0.3864
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0044 0.0433 0.0943
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0127 0.3159 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1963 0.4592
Echinococcus multilocularis dihydrofolate reductase 0.0047 0.0534 0.1288
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.0992 0.0958
Loa Loa (eye worm) hypothetical protein 0.0149 0.3887 0.3864
Brugia malayi Heterochromatin protein 1 0.0074 0.1418 0.2234
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0114 0.2742 0.8411
Loa Loa (eye worm) hypothetical protein 0.0079 0.1583 0.1551
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.1963 0.3115
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0079 0.1583 0.1551
Plasmodium vivax glutathione reductase, putative 0.005 0.0642 0.1422
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0149 0.3887 1
Brugia malayi glutathione reductase 0.005 0.0642 0.0978
Loa Loa (eye worm) hypothetical protein 0.0049 0.06 0.0564
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0149 0.3887 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.007 0.1307 0.1274
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0149 0.3887 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.1583 0.1551
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0149 0.3887 0.6229
Loa Loa (eye worm) hypothetical protein 0.0041 0.0357 0.032
Mycobacterium tuberculosis Hypothetical protein 0.0055 0.0789 0.0971
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0079 0.1583 0.4073
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0149 0.3887 1
Loa Loa (eye worm) steroid hormone receptor 0.0149 0.3887 0.3864
Brugia malayi chromobox protein homolog 3 0.0041 0.0357 0.0516
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0162 0.4287 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.0992 0.2477
Loa Loa (eye worm) thymidylate synthase 0.0115 0.2757 0.2729
Loa Loa (eye worm) hypothetical protein 0.007 0.1307 0.1274
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0149 0.3887 0.9181
Schistosoma mansoni zinc finger protein 0.007 0.1307 0.3027
Trichomonas vaginalis conserved hypothetical protein 0.0055 0.0789 0.063
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0115 0.2757 0.8466
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0115 0.2757 0.8466
Brugia malayi nuclear hormone receptor 0.0149 0.3887 0.6229
Schistosoma mansoni thyroid hormone receptor 0.0149 0.3887 0.9181
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0149 0.3887 0.3864
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0992 0.2274
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0149 0.3887 0.6229
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0149 0.3887 0.3864
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0149 0.3887 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0149 0.3887 0.5346
Brugia malayi Thioredoxin reductase 0.005 0.0642 0.0978
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0992 0.2274
Brugia malayi hypothetical protein 0.007 0.1307 0.2053
Schistosoma mansoni RAR-like nuclear receptor 0.0149 0.3887 0.9181
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0149 0.3887 1
Loa Loa (eye worm) hypothetical protein 0.0149 0.3887 0.3864
Brugia malayi Pre-SET motif family protein 0.0221 0.6218 1
Schistosoma mansoni nuclear hormone receptor 0.007 0.1307 0.3027
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.005 0.0642 0.0414
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0149 0.3887 0.6229
Loa Loa (eye worm) hypothetical protein 0.0079 0.1583 0.1551
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0992 0.206
Schistosoma mansoni nuclear receptor 0.007 0.1307 0.3027
Loa Loa (eye worm) hypothetical protein 0.007 0.1307 0.1274
Brugia malayi ecdysteroid receptor 0.0149 0.3887 0.6229
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0149 0.3887 0.6229
Echinococcus granulosus thymidylate synthase 0.0115 0.2757 0.7092
Loa Loa (eye worm) heterochromatin protein 1 0.0074 0.1418 0.1386
Trichomonas vaginalis chromobox protein, putative 0.0074 0.1418 0.1548
Trichomonas vaginalis chromobox protein, putative 0.0045 0.046 0.015
Echinococcus granulosus thyroid hormone receptor alpha 0.007 0.1307 0.3363
Onchocerca volvulus Protein ultraspiracle homolog 0.0149 0.3887 0.5346
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0149 0.3887 1
Echinococcus granulosus dihydrofolate reductase 0.0047 0.0534 0.1373
Loa Loa (eye worm) hypothetical protein 0.0149 0.3887 0.3864
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0149 0.3887 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0149 0.3887 0.6229
Mycobacterium tuberculosis Probable dehydrogenase 0.0114 0.2742 0.8411
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0114 0.2742 0.8411
Onchocerca volvulus 0.007 0.1307 0.1738
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.0992 0.2244
Echinococcus multilocularis Nuclear hormone receptor HR96 0.007 0.1307 0.3297
Loa Loa (eye worm) hypothetical protein 0.007 0.1307 0.1274
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.007 0.1307 0.3297
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0221 0.6218 0.6203
Loa Loa (eye worm) hypothetical protein 0.0149 0.3887 0.3864
Brugia malayi tailless protein 0.007 0.1307 0.2053
Schistosoma mansoni nuclear receptor nhr-48 0.007 0.1307 0.3027
Loa Loa (eye worm) hypothetical protein 0.0149 0.3887 0.3864
Trichomonas vaginalis chromobox protein, putative 0.0074 0.1418 0.1548
Trichomonas vaginalis chromobox protein, putative 0.0045 0.046 0.015
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.007 0.1307 0.3027
Brugia malayi nuclear hormone receptor 0.007 0.1307 0.2053
Echinococcus multilocularis thymidylate synthase 0.0115 0.2757 0.7063
Brugia malayi conserved hypotetical protein 0.007 0.1307 0.2053
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.0992 0.1744
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.06 0.0564
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0162 0.4287 1
Loa Loa (eye worm) hypothetical protein 0.0149 0.3887 0.3864
Schistosoma mansoni chromobox protein 0.0074 0.1418 0.3292
Loa Loa (eye worm) hypothetical protein 0.0079 0.1583 0.1551
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0114 0.2742 0.8411
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0149 0.3887 0.3864
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0149 0.3887 1
Brugia malayi ecdysone receptor 0.007 0.1307 0.2053
Brugia malayi steroid hormone receptor 0.0149 0.3887 0.6229
Loa Loa (eye worm) hypothetical protein 0.0149 0.3887 0.3864
Loa Loa (eye worm) hypothetical protein 0.007 0.1307 0.1274
Onchocerca volvulus 0.0115 0.2757 0.3765
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.007 0.1307 0.1738
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0079 0.1583 0.3686
Schistosoma mansoni chromobox protein 0.0074 0.1418 0.3292
Toxoplasma gondii thioredoxin reductase 0.005 0.0642 0.1422
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0079 0.1583 0.4015
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0127 0.3159 1
Schistosoma mansoni hypothetical protein 0.0033 0.0095 0.0136
Trichomonas vaginalis set domain proteins, putative 0.0251 0.7214 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0149 0.3887 0.6229
Loa Loa (eye worm) hypothetical protein 0.0149 0.3887 0.3864
Echinococcus granulosus chromobox protein 1 0.0074 0.1418 0.3649
Brugia malayi hypothetical protein 0.0129 0.3223 0.5154
Mycobacterium ulcerans thymidylate synthase 0.0115 0.2757 1
Brugia malayi Steroid receptor seven-up type 2 0.0149 0.3887 0.6229
Echinococcus granulosus Nuclear hormone receptor HR96 0.007 0.1307 0.3363
Loa Loa (eye worm) hypothetical protein 0.007 0.1307 0.1274
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.007 0.1307 0.3363
Schistosoma mansoni nuclear hormone receptor 0.0149 0.3887 0.9181
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0149 0.3887 0.6229
Onchocerca volvulus 0.007 0.1307 0.1738
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0149 0.3887 0.6229
Echinococcus multilocularis chromobox protein 1 0.0074 0.1418 0.3586
Brugia malayi hypothetical protein 0.0079 0.1583 0.2501
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.007 0.1307 0.1738
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0149 0.3887 0.9181
Echinococcus multilocularis Nuclear hormone receptor HR96 0.007 0.1307 0.3297
Schistosoma mansoni dihydrofolate reductase 0.0047 0.0534 0.1182
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0149 0.3887 0.6229
Onchocerca volvulus 0.0044 0.0433 0.0516
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0162 0.4287 1
Loa Loa (eye worm) hypothetical protein 0.007 0.1307 0.1274
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0149 0.3887 0.9181
Loa Loa (eye worm) hypothetical protein 0.0079 0.1583 0.1551
Schistosoma mansoni nuclear hormone receptor 0.007 0.1307 0.3027
Loa Loa (eye worm) hypothetical protein 0.007 0.1307 0.1274
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0149 0.3887 1
Echinococcus multilocularis FTZ F1 alpha 0.0149 0.3887 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0162 0.4287 1
Brugia malayi Nuclear hormone receptor E75 0.007 0.1307 0.2053
Loa Loa (eye worm) thioredoxin reductase 0.005 0.0642 0.0607
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0115 0.2757 0.6484
Loa Loa (eye worm) hypothetical protein 0.007 0.1307 0.1274
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0162 0.4287 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0149 0.3887 0.6229
Echinococcus multilocularis ecdysone induced protein 78C 0.0149 0.3887 1
Brugia malayi Cytochrome P450 family protein 0.005 0.0644 0.098
Loa Loa (eye worm) nuclear hormone receptor 0.007 0.1307 0.1274
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.007 0.1307 0.3297
Brugia malayi Nuclear hormone receptor-like 1 0.0149 0.3887 0.6229
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.1963 0.5051
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.1963 0.1933
Echinococcus granulosus nuclear receptor 2DBD gamma 0.007 0.1307 0.3363
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0149 0.3887 0.9181
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0079 0.1583 0.3686
Loa Loa (eye worm) hypothetical protein 0.007 0.1307 0.1274
Echinococcus multilocularis nuclear receptor nhr 48 0.007 0.1307 0.3297
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0149 0.3887 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0149 0.3887 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0038 0.0098
Mycobacterium tuberculosis Probable oxidoreductase 0.0127 0.3159 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.007 0.1307 0.3363
Echinococcus multilocularis thioredoxin glutathione reductase 0.005 0.0642 0.157
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0149 0.3887 0.9181
Brugia malayi orphan nuclear receptor NR2E1 0.007 0.1307 0.2053
Loa Loa (eye worm) glutathione reductase 0.005 0.0642 0.0607
Loa Loa (eye worm) hypothetical protein 0.007 0.1307 0.1274
Loa Loa (eye worm) hypothetical protein 0.007 0.1307 0.1274
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0149 0.3887 0.9181
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0095 0.0092
Echinococcus granulosus thioredoxin glutathione reductase 0.005 0.0642 0.1653
Schistosoma mansoni steroid hormone receptor ad4bp 0.0149 0.3887 0.9181
Echinococcus multilocularis thyroid hormone receptor alpha 0.0149 0.3887 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0149 0.3887 0.3864
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0114 0.2742 0.8411
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0162 0.4287 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1963 0.4592
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0114 0.2742 0.8411
Loa Loa (eye worm) hypothetical protein 0.007 0.1307 0.1274
Loa Loa (eye worm) DR-78 0.007 0.1307 0.1274
Plasmodium vivax thioredoxin reductase, putative 0.005 0.0642 0.1422
Echinococcus multilocularis chromobox protein 1 0.0074 0.1418 0.3586
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.007 0.1307 0.3297
Brugia malayi nuclear hormone receptor family member nhr-6 0.007 0.1307 0.2053
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.1963 0.5051
Loa Loa (eye worm) hypothetical protein 0.0032 0.0065 0.0027
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.007 0.1307 0.2053
Brugia malayi hypothetical protein 0.0079 0.1583 0.2501
Echinococcus granulosus chromobox protein 1 0.0074 0.1418 0.3649
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0992 0.206
Brugia malayi nuclear receptor NHR-67 0.007 0.1307 0.2053
Schistosoma mansoni hypothetical protein 0.0055 0.0796 0.1808
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0127 0.3159 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.1963 0.5002
Echinococcus granulosus FTZ F1 alpha 0.0149 0.3887 1
Schistosoma mansoni thyroid hormone receptor 0.0149 0.3887 0.9181
Brugia malayi nuclear receptor NHR-88 0.007 0.1307 0.2053
Brugia malayi thymidylate synthase 0.0115 0.2757 0.4399
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0357 0.0409
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0149 0.3887 0.6229
Schistosoma mansoni coup transcription factor 0.0149 0.3887 0.9181
Brugia malayi nuclear hormone receptor family member odr-7 0.007 0.1307 0.2053
Onchocerca volvulus Bile acid receptor homolog 0.0149 0.3887 0.5346
Echinococcus granulosus ecdysone induced protein 78C 0.0149 0.3887 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 51.62 % Inhibition of oleate production in Mycobacterium bovis BCG ChEMBL. 16875817
Inhibition (functional) = 51.62 % Inhibition of oleate production in Mycobacterium bovis BCG ChEMBL. 16875817
MIC99 (functional) Antibacterial activity against Mycobacterium tuberculosis H37Rv ChEMBL. 16875817
MIC99 (functional) 0 Antibacterial activity against Mycobacterium tuberculosis H37Rv ChEMBL. 16875817
MIC99 (functional) = 0.9 ug ml-1 Antibacterial activity against Mycobacterium bovis BCG ChEMBL. 16875817
MIC99 (functional) = 0.9 ug ml-1 Antibacterial activity against Mycobacterium bovis BCG ChEMBL. 16875817
Selectivity index (functional) 0 Selectivity index, IC50 against Vero cells/MIC against Mycobacterium ChEMBL. 16875817

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

1 literature reference was collected for this gene.

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