Detailed information for compound 1316281

Basic information

Technical information
  • TDR Targets ID: 1316281
  • Name: methyl (3Z)-3-(3-methoxy-2-methyl-2,3-dihydro inden-1-ylidene)propanoate
  • MW: 246.302 | Formula: C15H18O3
  • H donors: 0 H acceptors: 1 LogP: 2.03 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C/C=C\1/C(C)C(c2c1cccc2)OC
  • InChi: 1S/C15H18O3/c1-10-11(8-9-14(16)17-2)12-6-4-5-7-13(12)15(10)18-3/h4-8,10,15H,9H2,1-3H3/b11-8-
  • InChiKey: BAHWNFBCNAWEMW-FLIBITNWSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl (3Z)-3-(3-methoxy-2-methyl-indan-1-ylidene)propanoate
  • (3Z)-3-(3-methoxy-2-methyl-1-indanylidene)propanoic acid methyl ester
  • (3Z)-3-(3-methoxy-2-methyl-indan-1-ylidene)propionic acid methyl ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 2, subfamily D, polypeptide 6 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi cytochrome P450 cytochrome P450, family 2, subfamily D, polypeptide 6 497 aa 425 aa 32.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis thyroid hormone receptor alpha 0.0033 0.0428 0.0515
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0563 0.0927
Echinococcus multilocularis carboxylesterase 5A 0.015 0.2821 0.3389
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0186 0.0224
Mycobacterium tuberculosis Probable lipase LipD 0.0079 0.1359 0.1359
Brugia malayi steroid hormone receptor 0.0033 0.0428 0.0775
Echinococcus granulosus lysosomal alpha glucosidase 0.0178 0.3395 0.408
Giardia lamblia DINP protein human, muc B family 0.0021 0.0186 0.5
Brugia malayi nuclear receptor NHR-88 0.0016 0.0073 0.0132
Schistosoma mansoni BC026374 protein (S09 family) 0.0025 0.0273 0.0328
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0186 0.0186
Brugia malayi ecdysteroid receptor 0.0033 0.0428 0.0775
Loa Loa (eye worm) hypothetical protein 0.0033 0.0428 0.0775
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0085 0.1491 0.1791
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0033 0.0428 0.0515
Loa Loa (eye worm) nuclear receptor NHR-67 0.0016 0.0073 0.0132
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0186 0.0567
Trichomonas vaginalis glucosylceramidase, putative 0.0186 0.3541 0.6372
Brugia malayi beta-lactamase family protein 0.0079 0.1359 0.2459
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0186 0.0567
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0033 0.0428 0.0515
Trypanosoma brucei glucosidase, putative 0.004 0.0563 0.0872
Brugia malayi nuclear receptor NHR-88 0.0033 0.0428 0.0775
Loa Loa (eye worm) hypothetical protein 0.0033 0.0428 0.0775
Loa Loa (eye worm) DR-78 0.0016 0.0073 0.0132
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0085 0.1491 1
Schistosoma mansoni nuclear receptor nhr-48 0.0016 0.0073 0.0087
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0029 0.0353 0.0868
Loa Loa (eye worm) hypothetical protein 0.0025 0.0273 0.0494
Mycobacterium tuberculosis Conserved protein 0.0079 0.1359 0.1359
Loa Loa (eye worm) hypothetical protein 0.0015 0.0056 0.0101
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0046 0.0698 0.108
Echinococcus granulosus FTZ F1 alpha 0.0033 0.0428 0.0515
Mycobacterium leprae conserved hypothetical protein 0.0024 0.0245 0.1643
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0056 0.0893 0.5989
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0186 0.0224
Onchocerca volvulus 0.0085 0.1497 0.4134
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0053 0.0081
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0186 0.0289
Trypanosoma cruzi DNA polymerase eta, putative 0.0021 0.0186 0.0289
Echinococcus multilocularis neuroligin 0.0025 0.0273 0.0328
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0024 0.0245 0.0746
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0033 0.0428 0.0775
Loa Loa (eye worm) beta-lactamase 0.0079 0.1359 0.2459
Schistosoma mansoni hypothetical protein 0.042 0.8323 1
Onchocerca volvulus 0.0025 0.0273 0.0623
Onchocerca volvulus Protein ultraspiracle homolog 0.0033 0.0428 0.1068
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0186 0.0289
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0033 0.0428 0.0775
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.1095 0.3332
Trichomonas vaginalis spcc417.12 protein, putative 0.0025 0.0273 0.0397
Schistosoma mansoni cpg binding protein 0.0031 0.0391 0.047
Toxoplasma gondii hypothetical protein 0.0053 0.0836 0.561
Echinococcus granulosus dna polymerase kappa 0.0021 0.0186 0.0224
Loa Loa (eye worm) hypothetical protein 0.0016 0.0073 0.0132
Leishmania major DNA polymerase eta, putative 0.0021 0.0186 0.0289
Trypanosoma brucei unspecified product 0.0015 0.0053 0.0081
Trichomonas vaginalis glucosylceramidase, putative 0.0186 0.3541 0.6372
Echinococcus multilocularis acetylcholinesterase 0.015 0.2821 0.3389
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0025 0.0273 0.0328
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0025 0.0273 0.0273
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0033 0.0428 0.0775
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0033 0.0428 0.0775
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0016 0.0073 0.0048
Trichomonas vaginalis esterase, putative 0.0079 0.1359 0.2382
Brugia malayi Glycosyl hydrolases family 31 protein 0.004 0.0563 0.1019
Brugia malayi MH2 domain containing protein 0.013 0.2405 0.4353
Trichomonas vaginalis glucosylceramidase, putative 0.0283 0.5525 1
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0186 0.0337
Loa Loa (eye worm) hypothetical protein 0.0017 0.0111 0.02
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0016 0.0073 0.0087
Loa Loa (eye worm) hypothetical protein 0.0079 0.1359 0.2459
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0079 0.1359 0.1633
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0033 0.0428 0.0775
Entamoeba histolytica hypothetical protein 0.0024 0.0245 0.3728
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0186 0.0289
Brugia malayi nuclear hormone receptor 0.0033 0.0428 0.0775
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0025 0.0273 0.0328
Onchocerca volvulus 0.0016 0.0073 0.0048
Schistosoma mansoni thyroid hormone receptor 0.0033 0.0428 0.0515
Schistosoma mansoni neuroligin 3 (S09 family) 0.0025 0.0273 0.0328
Echinococcus granulosus ecdysone induced protein 78C 0.0033 0.0428 0.0515
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0016 0.0073 0.0132
Trypanosoma brucei glycosyl hydrolase-like protein 0.0015 0.0056 0.0087
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0017 0.0111 0.0133
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0016 0.0073 0.0087
Brugia malayi photoreceptor-specific nuclear receptor 0.0033 0.0428 0.0775
Leishmania major DNA polymerase kappa, putative 0.0021 0.0186 0.0289
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0024 0.0245 0.1643
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0079 0.1359 0.1359
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0563 0.0927
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0895 0.6002
Onchocerca volvulus 0.0016 0.0073 0.0048
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0085 0.1497 0.1798
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0155 0.2928 0.4533
Onchocerca volvulus 0.0025 0.0273 0.0623
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0017 0.0111 0.0133
Mycobacterium tuberculosis Carboxylesterase LipT 0.0025 0.0273 0.0273
Onchocerca volvulus 0.0079 0.1359 0.3738
Plasmodium vivax hypothetical protein, conserved 0.0079 0.1359 0.8939
Echinococcus multilocularis nuclear receptor nhr 48 0.0016 0.0073 0.0087
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0066 0.1095 0.1316
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0186 0.0289
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0016 0.0073 0.0087
Trichomonas vaginalis glucosylceramidase, putative 0.0186 0.3541 0.6372
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0033 0.0428 0.0515
Loa Loa (eye worm) hypothetical protein 0.0085 0.1497 0.2709
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0033 0.0428 0.0515
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0025 0.0273 0.0397
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0029 0.0353 0.0868
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0186 0.0289
Brugia malayi Carboxylesterase family protein 0.0025 0.0273 0.0494
Leishmania major phosphopantetheinyl transferase-like protein 0.0024 0.0245 0.0379
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0085 0.1491 0.4537
Trypanosoma brucei hypothetical protein, conserved 0.0079 0.1359 0.2104
Brugia malayi Nuclear hormone receptor-like 1 0.0017 0.0111 0.02
Loa Loa (eye worm) hypothetical protein 0.0017 0.0111 0.02
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0155 0.2928 0.4533
Loa Loa (eye worm) acetylcholinesterase 1 0.015 0.2821 0.5105
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0085 0.1491 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0155 0.2928 0.4533
Trichomonas vaginalis glucosylceramidase, putative 0.0196 0.3745 0.6745
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0033 0.0428 0.0775
Toxoplasma gondii hypothetical protein 0.0029 0.0353 0.2369
Trypanosoma brucei hypothetical protein, conserved 0.0024 0.0245 0.0379
Loa Loa (eye worm) hypothetical protein 0.0025 0.0273 0.0494
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0017 0.0111 0.0133
Onchocerca volvulus 0.0103 0.1861 0.5178
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0033 0.0428 0.0515
Loa Loa (eye worm) hypothetical protein 0.0033 0.0428 0.0775
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0079 0.1359 0.1633
Brugia malayi Nuclear hormone receptor E75 0.0016 0.0073 0.0132
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0186 0.0289
Mycobacterium ulcerans carboxylesterase, LipT 0.0025 0.0273 0.0831
Onchocerca volvulus 0.0079 0.1359 0.3738
Brugia malayi Probable ClpP-like protease 0.0085 0.1491 0.2698
Brugia malayi nuclear receptor NHR-67 0.0016 0.0073 0.0132
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0033 0.0428 0.0515
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0186 0.0289
Brugia malayi Glycosyl hydrolases family 31 protein 0.0178 0.3395 0.6145
Schistosoma mansoni coup transcription factor 0.0033 0.0428 0.0515
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0079 0.1359 0.1359
Leishmania major mitochondrial DNA polymerase beta 0.0328 0.6458 1
Trypanosoma brucei unspecified product 0.0015 0.0053 0.0081
Schistosoma mansoni cpg binding protein 0.0031 0.0391 0.047
Schistosoma mansoni acetylcholinesterase 0.0025 0.0273 0.0328
Brugia malayi Carboxylesterase family protein 0.0025 0.0273 0.0494
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0029 0.0353 0.2369
Loa Loa (eye worm) hypothetical protein 0.0016 0.0073 0.0132
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0186 0.0224
Leishmania major alpha glucosidase II subunit, putative 0.004 0.0563 0.0872
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0328 0.6458 1
Onchocerca volvulus 0.0025 0.0273 0.0623
Schistosoma mansoni DNA polymerase eta 0.0021 0.0186 0.0224
Schistosoma mansoni cpg binding protein 0.0029 0.0357 0.0429
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0033 0.0428 0.0775
Echinococcus granulosus peptidase Clp S14 family 0.0056 0.0893 0.1073
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0186 0.0289
Loa Loa (eye worm) hypothetical protein 0.015 0.2821 0.5105
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0079 0.1359 0.2459
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0033 0.0428 0.0515
Loa Loa (eye worm) hypothetical protein 0.0016 0.0073 0.0132
Brugia malayi Carboxylesterase family protein 0.0025 0.0273 0.0494
Loa Loa (eye worm) carboxylesterase 0.015 0.2821 0.5105
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0056 0.0893 0.0893
Toxoplasma gondii ABC1 family protein 0.0079 0.1359 0.9114
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0025 0.0273 0.0328
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0033 0.0428 0.0515
Loa Loa (eye worm) hypothetical protein 0.0016 0.0073 0.0132
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0079 0.1359 0.4135
Brugia malayi hypothetical protein 0.0025 0.0273 0.0494
Loa Loa (eye worm) hypothetical protein 0.0016 0.0073 0.0132
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0085 0.1491 1
Mycobacterium ulcerans hypothetical protein 0.0079 0.1359 0.4135
Loa Loa (eye worm) hypothetical protein 0.0033 0.0428 0.0775
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.1095 0.1316
Brugia malayi nuclear receptor RXR 0.0017 0.0111 0.02
Brugia malayi hypothetical protein 0.0017 0.0111 0.02
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0033 0.0428 0.0775
Echinococcus granulosus L aminoadipate semialdehyde 0.0085 0.1497 0.1798
Mycobacterium tuberculosis Probable lipase LipE 0.0079 0.1359 0.1359
Loa Loa (eye worm) hypothetical protein 0.0025 0.0273 0.0494
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.004 0.0563 0.0927
Echinococcus multilocularis lysosomal alpha glucosidase 0.0178 0.3395 0.408
Mycobacterium tuberculosis Conserved protein 0.0079 0.1359 0.1359
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0025 0.0273 0.0328
Trichomonas vaginalis glucosylceramidase, putative 0.0283 0.5525 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0017 0.0111 0.02
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0046 0.0698 0.108
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.015 0.2821 0.3389
Loa Loa (eye worm) hypothetical protein 0.0025 0.0273 0.0494
Echinococcus granulosus nuclear receptor nhr 48 0.0016 0.0073 0.0087
Trypanosoma cruzi hypothetical protein, conserved 0.0079 0.1359 0.2104
Loa Loa (eye worm) hypothetical protein 0.0025 0.0273 0.0494
Brugia malayi Steroid receptor seven-up type 2 0.0033 0.0428 0.0775
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0186 0.0289
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0033 0.0428 0.0775
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0017 0.0111 0.0133
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0085 0.1491 1
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.0186 0.0289
Echinococcus granulosus Nuclear hormone receptor HR96 0.0016 0.0073 0.0087
Trichomonas vaginalis glucosylceramidase, putative 0.0186 0.3541 0.6372
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.0186 0.0238
Mycobacterium tuberculosis Conserved hypothetical protein 0.0173 0.3286 0.3286
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0033 0.0428 0.0515
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0085 0.1491 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0085 0.1491 0.4537
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0563 0.0927
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0186 0.0289
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0016 0.0073 0.0087
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0283 0.5525 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0428 0.0775
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0033 0.0428 0.0515
Loa Loa (eye worm) hypothetical protein 0.0025 0.0273 0.0494
Brugia malayi Carboxylesterase family protein 0.015 0.2821 0.5105
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0016 0.0073 0.0087
Loa Loa (eye worm) hypothetical protein 0.0016 0.0073 0.0132
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0024 0.0245 0.1643
Brugia malayi Carboxylesterase family protein 0.0025 0.0273 0.0494
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.004 0.0563 0.3776
Loa Loa (eye worm) hypothetical protein 0.0016 0.0073 0.0132
Onchocerca volvulus 0.0079 0.1359 0.3738
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0085 0.1491 1
Onchocerca volvulus Bile acid receptor homolog 0.0033 0.0428 0.1068
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0016 0.0073 0.0087
Trichomonas vaginalis glucosylceramidase, putative 0.0283 0.5525 1
Onchocerca volvulus 0.0033 0.0428 0.1068
Leishmania major glycosyl hydrolase-like protein 0.0015 0.0056 0.0087
Loa Loa (eye worm) hypothetical protein 0.0017 0.0111 0.02
Onchocerca volvulus Glucosylceramidase homolog 0.0186 0.3541 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.004 0.0563 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0016 0.0073 0.0048
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0033 0.0428 0.1068
Schistosoma mansoni steroid hormone receptor ad4bp 0.0033 0.0428 0.0515
Schistosoma mansoni retinoic acid receptor RXR 0.0033 0.0428 0.0515
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.1031 0.1239
Brugia malayi Nuclear hormone receptor-like 1 0.0033 0.0428 0.0775
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0033 0.0428 0.0515
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0056 0.0904 0.14
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0033 0.0428 0.0775
Trichomonas vaginalis D-aminoacylase, putative 0.0079 0.1359 0.2382
Loa Loa (eye worm) hypothetical protein 0.0079 0.1359 0.2459
Mycobacterium leprae Probable lipase LipE 0.0079 0.1359 0.9114
Echinococcus multilocularis dnaJ subfamily B 0.042 0.8323 1
Brugia malayi Nuclear hormone receptor-like 1 0.0017 0.0111 0.02
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0033 0.0428 0.0775
Loa Loa (eye worm) carboxylesterase 0.0025 0.0273 0.0494
Trichomonas vaginalis glucosylceramidase, putative 0.0186 0.3541 0.6372
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0066 0.1095 0.1316
Brugia malayi hypothetical protein 0.0016 0.0073 0.0132
Echinococcus granulosus dnaJ subfamily B 0.042 0.8323 1
Leishmania major hypothetical protein, conserved 0.0079 0.1359 0.2104
Loa Loa (eye worm) hypothetical protein 0.0033 0.0428 0.0775
Trichomonas vaginalis D-aminoacylase, putative 0.0079 0.1359 0.2382
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0079 0.1359 0.1359
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0033 0.0428 0.0515
Schistosoma mansoni nuclear receptor 0.0016 0.0073 0.0087
Loa Loa (eye worm) hypothetical protein 0.0085 0.1491 0.2698
Loa Loa (eye worm) hypothetical protein 0.0016 0.0073 0.0132
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0024 0.0245 0.0245
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 0.0186 0.2571
Loa Loa (eye worm) hypothetical protein 0.0079 0.1359 0.2459
Mycobacterium tuberculosis Probable esterase LipL 0.0079 0.1359 0.1359
Loa Loa (eye worm) carboxylesterase 0.0025 0.0273 0.0494
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0186 0.0337
Trichomonas vaginalis glucosylceramidase, putative 0.0283 0.5525 1
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0283 0.5525 1
Brugia malayi orphan nuclear receptor NR2E1 0.0016 0.0073 0.0132
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.1095 0.1316
Trypanosoma brucei unspecified product 0.0021 0.0186 0.0289
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0085 0.1497 0.2709
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0024 0.0245 0.0746
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0033 0.0428 0.0775
Trichomonas vaginalis D-aminoacylase, putative 0.0079 0.1359 0.2382
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0033 0.0428 0.0515
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0186 0.0289
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0186 0.0289
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0025 0.0273 0.0328
Echinococcus granulosus acetylcholinesterase 0.015 0.2821 0.3389
Loa Loa (eye worm) hypothetical protein 0.0033 0.0428 0.0775
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0328 0.6458 1
Brugia malayi Cytochrome P450 family protein 0.0033 0.0426 0.0772
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0033 0.0428 0.0515
Echinococcus granulosus beta LACTamase domain containing family member 0.0079 0.1359 0.1633
Loa Loa (eye worm) hypothetical protein 0.0016 0.0073 0.0132
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0079 0.1359 0.2459
Mycobacterium ulcerans hypothetical protein 0.0173 0.3286 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.004 0.0563 0.0676
Brugia malayi CXXC zinc finger family protein 0.0029 0.0357 0.0646
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0053 0.0081
Echinococcus granulosus BC026374 protein S09 family 0.0025 0.0273 0.0328
Schistosoma mansoni zinc finger protein 0.0016 0.0073 0.0087
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0033 0.0428 0.0515
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0033 0.0428 0.0775
Loa Loa (eye worm) hypothetical protein 0.0016 0.0073 0.0132
Loa Loa (eye worm) hypothetical protein 0.0025 0.0273 0.0494
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0186 0.0289
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0563 0.0927
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0186 0.0289
Brugia malayi tailless protein 0.0016 0.0073 0.0132
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0033 0.0428 0.0515
Mycobacterium ulcerans lipase LipD 0.0079 0.1359 0.4135
Brugia malayi Glycosyl hydrolases family 31 protein 0.0015 0.0056 0.0101
Loa Loa (eye worm) hypothetical protein 0.0079 0.1359 0.2459
Loa Loa (eye worm) hypothetical protein 0.0017 0.0111 0.02
Echinococcus granulosus thyroid hormone receptor alpha 0.0016 0.0073 0.0087
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0186 0.0289
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0025 0.0273 0.0273
Trichomonas vaginalis sucrase-isomaltase, putative 0.004 0.0563 0.0927
Echinococcus granulosus neutral alpha glucosidase AB 0.004 0.0563 0.0676
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0085 0.1491 0.1791
Schistosoma mansoni nuclear receptor 0.0016 0.0073 0.0087
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0033 0.0428 0.0515
Brugia malayi nuclear receptor RXR 0.0016 0.0073 0.0132
Brugia malayi nuclear hormone receptor family member odr-7 0.0016 0.0073 0.0132
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0186 0.0289
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0053 0.0081
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0033 0.0428 0.0775
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0015 0.0056 0.0087
Schistosoma mansoni RAR-like nuclear receptor 0.0033 0.0428 0.0515
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0357 0.0646
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0016 0.0073 0.0087
Echinococcus multilocularis dna polymerase eta 0.0021 0.0186 0.0224
Trichomonas vaginalis glucosylceramidase, putative 0.0283 0.5525 1
Trichomonas vaginalis glucosylceramidase, putative 0.0196 0.3745 0.6745
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0186 0.0224
Brugia malayi ecdysone receptor 0.0016 0.0073 0.0132
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0033 0.0428 0.0775
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0033 0.0428 0.0775
Echinococcus multilocularis L aminoadipate semialdehyde 0.0085 0.1497 0.1798
Mycobacterium ulcerans esterase/lipase LipP 0.0079 0.1359 0.4135
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0563 0.0872
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0033 0.0428 0.0515
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.1095 0.3332
Loa Loa (eye worm) steroid hormone receptor 0.0033 0.0428 0.0775
Brugia malayi nuclear hormone receptor 0.0016 0.0073 0.0132
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0046 0.0698 0.108
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0016 0.0073 0.0087
Echinococcus granulosus neuroligin 0.0025 0.0273 0.0328
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0563 0.0927
Mycobacterium tuberculosis Conserved protein 0.0079 0.1359 0.1359
Brugia malayi beta-lactamase family protein 0.0079 0.1359 0.2459
Trichomonas vaginalis glucosylceramidase, putative 0.0186 0.3541 0.6372
Mycobacterium ulcerans beta-lactamase 0.0079 0.1359 0.4135
Echinococcus multilocularis peptidase Clp (S14 family) 0.0056 0.0893 0.1073
Echinococcus multilocularis lysosomal alpha glucosidase 0.0178 0.3395 0.408
Onchocerca volvulus 0.0029 0.0357 0.0863
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0029 0.0353 0.0868
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0178 0.3395 0.6145
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0085 0.1491 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.004 0.0563 0.0927
Loa Loa (eye worm) hypothetical protein 0.0079 0.1359 0.2459
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0066 0.1095 0.1095
Echinococcus granulosus acetylcholinesterase 0.015 0.2821 0.3389
Loa Loa (eye worm) MH2 domain-containing protein 0.013 0.2405 0.4353
Trichomonas vaginalis penicillin-binding protein, putative 0.0079 0.1359 0.2382
Brugia malayi conserved hypotetical protein 0.0016 0.0073 0.0132
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0033 0.0428 0.0775
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0186 0.0289
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0033 0.0428 0.0775
Echinococcus granulosus carboxylesterase 5A 0.015 0.2821 0.3389
Trichomonas vaginalis maltase-glucoamylase, putative 0.004 0.0563 0.0927
Echinococcus multilocularis cpg binding protein 0.0031 0.0391 0.047
Echinococcus multilocularis FTZ F1 alpha 0.0033 0.0428 0.0515
Loa Loa (eye worm) hypothetical protein 0.0016 0.0073 0.0132
Schistosoma mansoni thyroid hormone receptor 0.0033 0.0428 0.0515
Schistosoma mansoni nuclear hormone receptor 0.0033 0.0428 0.0515
Mycobacterium leprae conserved hypothetical protein 0.0079 0.1359 0.9114
Trypanosoma cruzi hypothetical protein, conserved 0.0079 0.1359 0.2104
Schistosoma mansoni nuclear hormone receptor 0.0016 0.0073 0.0087
Echinococcus multilocularis beta LACTamase domain containing family member 0.0079 0.1359 0.1633
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0186 0.0289
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0066 0.1095 0.1695
Trichomonas vaginalis glucosylceramidase, putative 0.0186 0.3541 0.6372
Loa Loa (eye worm) hypothetical protein 0.0021 0.0186 0.0337
Loa Loa (eye worm) transcription factor SMAD2 0.013 0.2405 0.4353
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0186 0.0224
Mycobacterium tuberculosis Probable hydrolase 0.0079 0.1359 0.1359
Brugia malayi Carboxylesterase family protein 0.015 0.2821 0.5105
Echinococcus multilocularis acetylcholinesterase 0.015 0.2821 0.3389
Trichomonas vaginalis penicillin-binding protein, putative 0.0079 0.1359 0.2382
Loa Loa (eye worm) hypothetical protein 0.0016 0.0073 0.0132
Loa Loa (eye worm) hypothetical protein 0.0079 0.1359 0.2459
Brugia malayi beta-lactamase 0.0079 0.1359 0.2459
Loa Loa (eye worm) hypothetical protein 0.0016 0.0073 0.0132
Schistosoma mansoni nuclear hormone receptor 0.0016 0.0073 0.0087
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0016 0.0073 0.0132
Onchocerca volvulus 0.0025 0.0273 0.0623
Echinococcus multilocularis BC026374 protein (S09 family) 0.0025 0.0273 0.0328
Echinococcus granulosus cpg binding protein 0.0031 0.0391 0.047
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0186 0.0337
Brugia malayi hypothetical protein 0.0016 0.0073 0.0132
Schistosoma mansoni gliotactin 0.0025 0.0273 0.0328
Brugia malayi Nuclear hormone receptor E75 0.0016 0.0073 0.0132
Loa Loa (eye worm) cytochrome P450 family protein 0.0033 0.0426 0.0772
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0056 0.0893 0.0893
Loa Loa (eye worm) hypothetical protein 0.0017 0.0111 0.02
Echinococcus granulosus para nitrobenzyl esterase 0.0025 0.0273 0.0328
Brugia malayi nuclear hormone receptor family member nhr-6 0.0016 0.0073 0.0132
Schistosoma mansoni alpha-glucosidase 0.0154 0.2888 0.3471
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0186 0.0186
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.1095 0.3332
Echinococcus multilocularis para nitrobenzyl esterase 0.0025 0.0273 0.0328
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0015 0.0056 0.0087
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0563 0.0872
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0085 0.1491 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0328 0.6458 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0016 0.0073 0.0087
Loa Loa (eye worm) hypothetical protein 0.0033 0.0428 0.0775
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0033 0.0428 0.0775
Schistosoma mansoni alpha glucosidase 0.004 0.0563 0.0676
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0033 0.0428 0.0515
Loa Loa (eye worm) hypothetical protein 0.015 0.2821 0.5105
Echinococcus granulosus Nuclear hormone receptor HR96 0.0016 0.0073 0.0087
Onchocerca volvulus 0.0025 0.0273 0.0623
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.004 0.0563 0.1019
Schistosoma mansoni peptidase Clp (S14 family) 0.0085 0.1491 0.1791
Echinococcus multilocularis ecdysone induced protein 78C 0.0033 0.0428 0.0515
Trichomonas vaginalis glucosylceramidase, putative 0.0283 0.5525 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.004 0.0563 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0033 0.0428 0.0775
Schistosoma mansoni alpha-glucosidase 0.0154 0.2888 0.3471
Toxoplasma gondii aldehyde dehydrogenase 0.0066 0.1095 0.7345
Brugia malayi hypothetical protein 0.0017 0.0111 0.02
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0085 0.1491 1
Echinococcus granulosus dna polymerase eta 0.0021 0.0186 0.0224
Loa Loa (eye worm) nuclear hormone receptor 0.0016 0.0073 0.0132
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.0186 0.0238
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0046 0.0698 0.108

Activities

Activity type Activity value Assay description Source Reference
Potency (ADMET) = 0.0794 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2D6. (Class of assay: confirmatory) [Related pubchem assays: 410 ] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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