Detailed information for compound 108630

Basic information

Technical information
  • TDR Targets ID: 108630
  • Name: 11-[2-[4-(2-chloroethyl)piperazin-1-yl]acetyl ]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
  • MW: 399.874 | Formula: C20H22ClN5O2
  • H donors: 1 H acceptors: 3 LogP: 1.49 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClCCN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2
  • InChi: 1S/C20H22ClN5O2/c21-7-9-24-10-12-25(13-11-24)14-18(27)26-17-6-2-1-4-15(17)20(28)23-16-5-3-8-22-19(16)26/h1-6,8H,7,9-14H2,(H,23,28)
  • InChiKey: RRPDKZUBFMKHQR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 11-[2-[4-(2-chloroethyl)-1-piperazinyl]-1-oxoethyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
  • 11-[2-[4-(2-chloroethyl)piperazin-1-yl]ethanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
  • 11-[2-[4-(2-chloroethyl)piperazino]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
  • 5,11-Dihydro-11-[(4-[2-chloroethyl]-1-piperazinyl)acetyl](6H)pyrido[2,3-b]benzo[f]1,4-diazepin-6-one
  • 5,11-Dihydro-11-[(4-[2-chloroethyl]-1-piperazinyl)acetyl]-6H-pyrido[2,3

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Muscarinic acetylcholine receptor M2 Starlite/ChEMBL References
Rattus norvegicus Muscarinic acetylcholine receptor M1 Starlite/ChEMBL References
Rattus norvegicus Muscarinic acetylcholine receptor M3 Starlite/ChEMBL References
Rattus norvegicus Muscarinic acetylcholine receptor M4 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133264 All targets in OG5_133264
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133264 All targets in OG5_133264
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni biogenic amine (dopamine) receptor Muscarinic acetylcholine receptor M4   478 aa 470 aa 24.9 %
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor Muscarinic acetylcholine receptor M2   466 aa 510 aa 29.8 %
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) Muscarinic acetylcholine receptor M2   466 aa 461 aa 26.0 %
Schistosoma japonicum Octopamine receptor, putative Muscarinic acetylcholine receptor M2   466 aa 462 aa 26.8 %
Loa Loa (eye worm) hypothetical protein Muscarinic acetylcholine receptor M1   460 aa 425 aa 22.1 %
Schistosoma mansoni amine GPCR Muscarinic acetylcholine receptor M1   460 aa 463 aa 27.0 %
Loa Loa (eye worm) TYRA-2 protein Muscarinic acetylcholine receptor M2   466 aa 497 aa 24.7 %
Onchocerca volvulus Glycoprotein hormone beta 5 homolog Muscarinic acetylcholine receptor M2   466 aa 493 aa 34.7 %
Echinococcus granulosus alpha 1A adrenergic receptor Muscarinic acetylcholine receptor M2   466 aa 459 aa 20.0 %
Echinococcus multilocularis alpha 1A adrenergic receptor Muscarinic acetylcholine receptor M2   466 aa 459 aa 21.1 %
Schistosoma japonicum Octopamine receptor 1, putative Muscarinic acetylcholine receptor M2   466 aa 412 aa 22.6 %
Onchocerca volvulus Muscarinic acetylcholine receptor M2   466 aa 472 aa 24.6 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Muscarinic acetylcholine receptor M2   466 aa 461 aa 23.9 %
Schistosoma mansoni biogenic amine receptor Muscarinic acetylcholine receptor M2   466 aa 463 aa 24.2 %
Echinococcus granulosus g protein coupled receptor Muscarinic acetylcholine receptor M2   466 aa 480 aa 18.5 %
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Muscarinic acetylcholine receptor M1   460 aa 462 aa 23.4 %
Schistosoma mansoni biogenic amine receptor Muscarinic acetylcholine receptor M2   466 aa 484 aa 24.4 %
Schistosoma mansoni growth hormone secretagogue receptor Muscarinic acetylcholine receptor M2   466 aa 462 aa 19.9 %
Onchocerca volvulus RB1-inducible coiled-coil protein 1 homolog Muscarinic acetylcholine receptor M2   466 aa 505 aa 26.9 %
Echinococcus granulosus biogenic amine 5HT receptor Muscarinic acetylcholine receptor M1   460 aa 432 aa 26.6 %
Echinococcus multilocularis serotonin receptor Muscarinic acetylcholine receptor M1   460 aa 432 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.0053 0.1422
Onchocerca volvulus 0.0075 0.0053 0.2304
Brugia malayi Pre-SET motif family protein 0.0202 0.0193 0.0966
Brugia malayi photoreceptor-specific nuclear receptor 0.0032 0.0004 0.0016
Loa Loa (eye worm) hypothetical protein 0.0032 0.0004 0.0016
Echinococcus granulosus polycomb protein SCMH1 0.0055 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0075 0.0053 0.0258
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0055 0.003 0.0065
Onchocerca volvulus 0.0168 0.0155 0.6914
Loa Loa (eye worm) hypothetical protein 0.0168 0.0155 0.0775
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.0159 0.11
Loa Loa (eye worm) hypothetical protein 0.0075 0.0053 0.0258
Echinococcus multilocularis ecdysone induced protein 78C 0.0032 0.0004 0.0003
Entamoeba histolytica hypothetical protein 0.0107 0.0088 0.0566
Schistosoma mansoni hypothetical protein 0.0336 0.0342 0.0784
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0031 0.1912
Schistosoma mansoni alpha glucosidase 0.0039 0.0013 0.0026
Echinococcus multilocularis neuropeptide s receptor 0.0518 0.0544 0.0542
Plasmodium vivax thrombospondin-related anonymous protein 0.0168 0.0155 1
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0168 0.0155 0.0775
Loa Loa (eye worm) mbt repeat family protein 0.0055 0.003 0.0143
Brugia malayi Muscleblind-like protein 0.0332 0.0338 0.1692
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0032 0.0004 0.0016
Leishmania major mitochondrial DNA polymerase beta 0.0292 0.0293 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0002 0.0001
Echinococcus granulosus lysine specific demethylase 5A 0.0188 0.0178 0.0178
Loa Loa (eye worm) hypothetical protein 0.0055 0.003 0.0143
Echinococcus multilocularis histone acetyltransferase MYST2 0.0062 0.0038 0.0036
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0604 0.0639 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0604 0.0639 1
Loa Loa (eye worm) jmjC domain-containing protein 0.005 0.0024 0.0116
Schistosoma mansoni phd/f-box containing protein 0.005 0.0024 0.0053
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0219 0.0213 0.0211
Onchocerca volvulus 0.0168 0.0155 0.6914
Loa Loa (eye worm) hypothetical protein 0.0168 0.0155 0.0775
Echinococcus multilocularis lysine specific demethylase 5A 0.0187 0.0176 0.0174
Onchocerca volvulus 0.0075 0.0053 0.2304
Schistosoma mansoni myelin transcription factor 1 myt1 0.0062 0.0038 0.0085
Schistosoma mansoni alpha-glucosidase 0.0152 0.0138 0.0315
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1236 0.1341 1
Schistosoma mansoni alpha-glucosidase 0.0152 0.0138 0.0315
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0077 0.0055 0.0317
Schistosoma mansoni thyroid hormone receptor 0.0032 0.0004 0.0007
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.0037 0.0857
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0032 0.0004 0.0016
Onchocerca volvulus Bile acid receptor homolog 0.0032 0.0004 0.0142
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0015 0.0072
Schistosoma mansoni thyroid hormone receptor 0.0032 0.0004 0.0007
Echinococcus multilocularis dnaJ subfamily B 0.0413 0.0427 0.0425
Echinococcus granulosus FTZ F1 alpha 0.0032 0.0004 0.0004
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0041 0.0015 0.0072
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0041 0.0015 0.0072
Brugia malayi Steroid receptor seven-up type 2 0.0032 0.0004 0.0016
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0062 0.0038 0.0185
Trichomonas vaginalis glucosylceramidase, putative 0.0261 0.0258 0.1849
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0032 0.0004 0.0007
Plasmodium falciparum circumsporozoite- and TRAP-related protein 0.0168 0.0155 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0024 0.0116
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1236 0.1341 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0219 0.0213 0.0213
Giardia lamblia Fructose-bisphosphate aldolase 0.1236 0.1341 1
Loa Loa (eye worm) hypothetical protein 0.0168 0.0155 0.0775
Schistosoma mansoni phosphatidylserine receptor 0.005 0.0024 0.0053
Loa Loa (eye worm) CUTiclin-Like family member 0.0168 0.0155 0.0775
Mycobacterium tuberculosis Conserved protein 0.0075 0.0053 0.0263
Trypanosoma brucei hypothetical protein, conserved 0.0075 0.0053 0.1422
Plasmodium vivax von Willebrand factor A domain-related protein, putative 0.0168 0.0155 1
Brugia malayi hypothetical protein 0.0081 0.0059 0.029
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0604 0.0639 1
Brugia malayi follicle stimulating hormone receptor 0.0494 0.0518 0.2597
Trichomonas vaginalis glucosylceramidase, putative 0.0261 0.0258 0.1849
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0032 0.0004 0.0016
Loa Loa (eye worm) hypothetical protein 0.0168 0.0155 0.0775
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0032 0.0004 0.0004
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.005 0.0024 0.1463
Mycobacterium tuberculosis Conserved hypothetical protein 0.0154 0.014 0.1713
Brugia malayi von Willebrand factor type A domain containing protein 0.0168 0.0155 0.0775
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.1988 0.2175 0.5004
Loa Loa (eye worm) hypothetical protein 0.0032 0.0004 0.0016
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0032 0.0004 0.0016
Brugia malayi von Willebrand factor type A domain containing protein 0.0168 0.0155 0.0775
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0032 0.0004 0.0016
Loa Loa (eye worm) jmjC domain-containing protein 0.005 0.0024 0.0116
Loa Loa (eye worm) hypothetical protein 0.0075 0.0053 0.0258
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0032 0.0004 0.0004
Echinococcus multilocularis microtubule associated protein 2 0.2976 0.3272 0.327
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.3943 0.4345 1
Mycobacterium ulcerans esterase/lipase LipP 0.0075 0.0053 0.0263
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0039 0.0013 0.0057
Loa Loa (eye worm) hypothetical protein 0.0168 0.0155 0.0775
Mycobacterium tuberculosis Conserved protein 0.0075 0.0053 0.0263
Brugia malayi hypothetical protein 0.0168 0.0155 0.0775
Echinococcus multilocularis thyroid hormone receptor alpha 0.0032 0.0004 0.0003
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0138 0.0123 0.3915
Mycobacterium ulcerans hypothetical protein 0.0154 0.014 0.1713
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0032 0.0004 0.0016
Brugia malayi jmjC domain containing protein 0.005 0.0024 0.0116
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0097 0.0076 0.0378
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.0076 0.0076
Loa Loa (eye worm) hypothetical protein 0.0032 0.0004 0.0016
Loa Loa (eye worm) hypothetical protein 0.052 0.0546 0.274
Schistosoma mansoni cpg binding protein 0.0031 0.0003 0.0004
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.0076 0.0173
Echinococcus multilocularis cpg binding protein 0.0031 0.0003 0.0001
Schistosoma mansoni nuclear hormone receptor 0.0032 0.0004 0.0007
Echinococcus granulosus neutral alpha glucosidase AB 0.0039 0.0013 0.0013
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0032 0.0004 0.0016
Trichomonas vaginalis glucosylceramidase, putative 0.0261 0.0258 0.1849
Plasmodium vivax hypothetical protein, conserved 0.0168 0.0155 1
Loa Loa (eye worm) hypothetical protein 0.0168 0.0155 0.0775
Trichomonas vaginalis glucosylceramidase, putative 0.0261 0.0258 0.1849
Brugia malayi Nuclear hormone receptor-like 1 0.0032 0.0004 0.0016
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0053 0.0301
Toxoplasma gondii ABC1 family protein 0.0075 0.0053 0.3306
Plasmodium vivax circumsporozoite- and TRAP-related protein, putative 0.0168 0.0155 1
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.005 0.0024 0.0414
Treponema pallidum fructose-bisphosphate aldolase 0.1236 0.1341 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0004 0.0016
Echinococcus granulosus neuropeptide receptor A26 0.0518 0.0544 0.0544
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0075 0.0053 0.0258
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.0076 0.0076
Onchocerca volvulus 0.0102 0.0083 0.3654
Brugia malayi Inositol-1 0.0077 0.0055 0.0269
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0032 0.0004 0.0016
Trichomonas vaginalis glucosylceramidase, putative 0.018 0.0169 0.1177
Schistosoma mansoni microtubule-associated protein tau 0.2976 0.3272 0.7529
Onchocerca volvulus 0.0055 0.003 0.1273
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.0037 0.2272
Entamoeba histolytica hypothetical protein, conserved 0.0168 0.0155 0.1074
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0077 0.0055 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0032 0.0004 0.0003
Schistosoma mansoni sex comb on midleg homolog 0.0055 0.003 0.0065
Loa Loa (eye worm) hypothetical protein 0.0168 0.0155 0.0775
Brugia malayi ecdysteroid receptor 0.0032 0.0004 0.0016
Brugia malayi von Willebrand factor type A domain containing protein 0.0168 0.0155 0.0775
Echinococcus multilocularis neutral alpha glucosidase AB 0.0039 0.0013 0.0011
Loa Loa (eye worm) hypothetical protein 0.0168 0.0155 0.0775
Brugia malayi beta-lactamase family protein 0.0075 0.0053 0.0258
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0069 0.0046 0.015
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0107 0.0088 0.0566
Onchocerca volvulus Protein ultraspiracle homolog 0.0032 0.0004 0.0142
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0055 0.003 0.1273
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0077 0.0055 0.1499
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0032 0.0004 0.0004
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0062 0.0038 0.0038
Trichomonas vaginalis glucosylceramidase, putative 0.018 0.0169 0.1177
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.0076 0.0173
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0002 0.0001
Schistosoma mansoni inositol monophosphatase 0.0077 0.0055 0.0123
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0138 0.0123 0.3915
Brugia malayi jmjC domain containing protein 0.005 0.0024 0.0116
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0077 0.0055 0.1499
Loa Loa (eye worm) beta-lactamase 0.0075 0.0053 0.0258
Loa Loa (eye worm) steroid hormone receptor 0.0032 0.0004 0.0016
Plasmodium vivax hypothetical protein, conserved 0.0075 0.0053 0.3306
Loa Loa (eye worm) hypothetical protein 0.005 0.0024 0.0116
Brugia malayi von Willebrand factor type A domain containing protein 0.0168 0.0155 0.0775
Loa Loa (eye worm) hypothetical protein 0.0032 0.0004 0.0016
Brugia malayi beta-lactamase 0.0075 0.0053 0.0258
Loa Loa (eye worm) hypothetical protein 0.0032 0.0004 0.0016
Onchocerca volvulus 0.003 0.0002 0.0027
Echinococcus granulosus cpg binding protein 0.0031 0.0003 0.0003
Brugia malayi Glycosyl hydrolases family 31 protein 0.0177 0.0166 0.0827
Toxoplasma gondii histone lysine demethylase JMJD6a 0.005 0.0024 0.1463
Schistosoma mansoni hypothetical protein 0.0368 0.0377 0.0865
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0177 0.0166 0.0827
Echinococcus granulosus jumonji domain containing 1A 0.005 0.0024 0.0024
Mycobacterium leprae Probable lipase LipE 0.0075 0.0053 0.0115
Echinococcus granulosus phd:f box containing protein 0.005 0.0024 0.0024
Echinococcus granulosus histone acetyltransferase MYST2 0.0062 0.0038 0.0038
Echinococcus granulosus lysosomal alpha glucosidase 0.0177 0.0166 0.0166
Plasmodium falciparum von Willebrand factor A domain-related protein 0.0168 0.0155 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.0059 0.029
Brugia malayi Immunoglobulin I-set domain containing protein 0.0168 0.0155 0.0775
Onchocerca volvulus 0.0032 0.0004 0.0142
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.0037 0.0035
Echinococcus multilocularis JmjC domain containing protein 4 0.005 0.0024 0.0022
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0292 0.0293 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0032 0.0004 0.0004
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0187 0.0176 0.0176
Brugia malayi jmjC domain containing protein 0.0187 0.0176 0.088
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0051 0.0026 0.0024
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0292 0.0293 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0494 0.0518 0.2597
Brugia malayi nuclear hormone receptor 0.0032 0.0004 0.0016
Brugia malayi Cache domain containing protein 0.182 0.1989 1
Echinococcus granulosus SAM and MBT domain containing protein 0.0055 0.003 0.003
Brugia malayi Pre-SET motif family protein 0.003 0.0002 0.0003
Brugia malayi von Willebrand factor type A domain containing protein 0.0168 0.0155 0.0775
Echinococcus multilocularis lysosomal alpha glucosidase 0.0177 0.0166 0.0164
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.1236 0.1341 1
Entamoeba histolytica hypothetical protein 0.0168 0.0155 0.1074
Schistosoma mansoni hypothetical protein 0.0413 0.0427 0.098
Loa Loa (eye worm) jmjC domain-containing protein 0.0188 0.0178 0.0889
Onchocerca volvulus 0.0168 0.0155 0.6914
Brugia malayi jmjC domain containing protein 0.005 0.0024 0.0116
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.0053 0.0118
Brugia malayi von Willebrand factor type A domain containing protein 0.0168 0.0155 0.0775
Echinococcus granulosus inositol monophosphatase 1 0.0077 0.0055 0.0055
Entamoeba histolytica elongation factor-2 kinase, putative 0.0168 0.0155 0.1074
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0077 0.0055 0.3447
Trichomonas vaginalis esterase, putative 0.0075 0.0053 0.0301
Loa Loa (eye worm) jmjC domain-containing protein 0.005 0.0024 0.0116
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0075 0.0053 0.0263
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.0376 0.0387 0.2816
Schistosoma mansoni protein phosphatase 2C 0.005 0.0024 0.0053
Trichomonas vaginalis inositol monophosphatase, putative 0.0077 0.0055 0.0317
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0032 0.0004 0.0142
Loa Loa (eye worm) von Willebrand factor domain-containing protein 0.0168 0.0155 0.0775
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1236 0.1341 1
Echinococcus granulosus dnaJ subfamily B 0.0413 0.0427 0.0427
Brugia malayi Zona pellucida-like domain containing protein 0.0168 0.0155 0.0775
Schistosoma mansoni steroid hormone receptor ad4bp 0.0032 0.0004 0.0007
Schistosoma mansoni retinoic acid receptor RXR 0.0032 0.0004 0.0007
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0032 0.0004 0.0016
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0032 0.0004 0.0016
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.0053 0.0301
Loa Loa (eye worm) hypothetical protein 0.0168 0.0155 0.0775
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0077 0.0055 0.1499
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.0159 0.11
Schistosoma mansoni serine-rich repeat protein 0.2123 0.2325 0.535
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1236 0.1341 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0177 0.0166 0.0164
Schistosoma mansoni RAR-like nuclear receptor 0.0032 0.0004 0.0007
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0187 0.0176 0.0174
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0002 0.0001
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0097 0.0076 0.0378
Echinococcus multilocularis geminin 0.0368 0.0377 0.0375
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.0193 0.0966
Plasmodium vivax dynein-related AAA-type ATPase, putative 0.0168 0.0155 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.0039 0.0086
Brugia malayi jmjC domain containing protein 0.0188 0.0178 0.0889
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0032 0.0004 0.0016
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.0053 0.0301
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0062 0.0038 0.0036
Mycobacterium leprae conserved hypothetical protein 0.0075 0.0053 0.0115
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.0159 0.11
Toxoplasma gondii hypothetical protein 0.0047 0.0021 0.1273
Echinococcus granulosus collagen alpha 1VII chain 0.0168 0.0155 0.0155
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.0076 0.0075
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1236 0.1341 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0004 0.0016
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0261 0.0258 0.1293
Loa Loa (eye worm) hypothetical protein 0.0062 0.0038 0.0185
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0077 0.0055 0.0317
Leishmania major hypothetical protein, conserved 0.0075 0.0053 0.1422
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.0076 0.0075
Echinococcus multilocularis beta LACTamase domain containing family member 0.0075 0.0053 0.0051
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0032 0.0004 0.0016
Schistosoma mansoni eyes absent homolog 0.0081 0.0059 0.0133
Loa Loa (eye worm) hypothetical protein 0.0168 0.0155 0.0775
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0077 0.0055 0.0299
Mycobacterium ulcerans hypothetical protein 0.0075 0.0053 0.0263
Echinococcus granulosus geminin 0.0368 0.0377 0.0377
Schistosoma mansoni hypothetical protein 0.2123 0.2325 0.535
Mycobacterium ulcerans beta-lactamase 0.0075 0.0053 0.0263
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0032 0.0004 0.0003
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.0159 0.11
Echinococcus multilocularis polycomb protein SCMH1 0.0055 0.003 0.0028
Brugia malayi mbt repeat family protein 0.0055 0.003 0.0143
Loa Loa (eye worm) hypothetical protein 0.052 0.0546 0.274
Echinococcus granulosus lysine specific demethylase 6a 0.005 0.0024 0.0024
Echinococcus multilocularis collagen alpha 1(VII) chain 0.0168 0.0155 0.0154
Brugia malayi Glycosyl hydrolases family 31 protein 0.0039 0.0013 0.0057
Brugia malayi von Willebrand Factor 0.0168 0.0155 0.0775
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0032 0.0004 0.0004
Onchocerca volvulus 0.0075 0.0053 0.2304
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0051 0.0026 0.0026
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.0053 0.1422
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0075 0.0053 0.0258
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0032 0.0004 0.0003
Mycobacterium tuberculosis Probable hydrolase 0.0075 0.0053 0.0263
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.005 0.0024 0.0414
Onchocerca volvulus 0.0168 0.0155 0.6914
Loa Loa (eye worm) hypothetical protein 0.005 0.0024 0.0116
Loa Loa (eye worm) hypothetical protein 0.0168 0.0155 0.0775
Loa Loa (eye worm) MBCTL1 0.0062 0.0038 0.0185
Loa Loa (eye worm) hypothetical protein 0.0168 0.0155 0.0775
Schistosoma mansoni sex comb on midleg homolog 0.0055 0.003 0.0065
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.1236 0.1341 1
Entamoeba histolytica hypothetical protein, conserved 0.0168 0.0155 0.1074
Brugia malayi beta-lactamase family protein 0.0075 0.0053 0.0258
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0032 0.0004 0.0003
Toxoplasma gondii von Willebrand factor type A domain-containing protein 0.0168 0.0155 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0032 0.0004 0.0007
Toxoplasma gondii microneme protein MIC2 0.0168 0.0155 1
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0037 0.0082
Echinococcus granulosus beta LACTamase domain containing family member 0.0075 0.0053 0.0053
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0053 0.0301
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0039 0.0013 0.0705
Echinococcus multilocularis muscleblind protein 1 0.0332 0.0338 0.0336
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0002 0.0001
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0138 0.0123 0.3915
Mycobacterium tuberculosis Probable lipase LipD 0.0075 0.0053 0.0263
Echinococcus multilocularis voltage dependent calcium channel subunit 0.9038 1 1
Schistosoma mansoni jumonji domain containing protein 0.0187 0.0176 0.0403
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0077 0.0055 0.0317
Schistosoma mansoni inositol monophosphatase 0.0077 0.0055 0.0123
Onchocerca volvulus 0.0168 0.0155 0.6914
Loa Loa (eye worm) hypothetical protein 0.003 0.0002 0.0003
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0168 0.0155 0.1074
Loa Loa (eye worm) hypothetical protein 0.0332 0.0338 0.1692
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0032 0.0004 0.0016
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0053 0.0301
Mycobacterium tuberculosis Conserved protein 0.0075 0.0053 0.0263
Loa Loa (eye worm) hypothetical protein 0.0032 0.0004 0.0016
Loa Loa (eye worm) von Willebrand factor type A domain-containing protein 0.0168 0.0155 0.0775
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0032 0.0004 0.0016
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0032 0.0004 0.0016
Trichomonas vaginalis set domain proteins, putative 0.023 0.0224 0.1592
Schistosoma mansoni cpg binding protein 0.0031 0.0003 0.0004
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0032 0.0004 0.0016
Brugia malayi von Willebrand factor type A domain containing protein 0.0168 0.0155 0.0775
Brugia malayi von Willebrand factor type A domain containing protein 0.0168 0.0155 0.0775
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.0159 0.11
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.0159 0.11
Schistosoma mansoni hypothetical protein 0.0168 0.0155 0.0355
Echinococcus multilocularis neuropeptide receptor A26 0.0518 0.0544 0.0542
Loa Loa (eye worm) hypothetical protein 0.182 0.1989 1
Brugia malayi steroid hormone receptor 0.0032 0.0004 0.0016
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0032 0.0004 0.0016
Schistosoma mansoni hypothetical protein 0.0368 0.0377 0.0865
Mycobacterium tuberculosis Probable lipase LipE 0.0075 0.0053 0.0263
Onchocerca volvulus 0.023 0.0224 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0075 0.0053 0.0258
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0032 0.0004 0.0007
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.005 0.0024 0.0414
Brugia malayi mbt repeat family protein 0.0055 0.003 0.0143
Echinococcus multilocularis muscleblind protein 0.0332 0.0338 0.0336
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0032 0.0004 0.0007
Echinococcus multilocularis phd:f box containing protein 0.005 0.0024 0.0022
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0481 0.0503 0.7733
Schistosoma mansoni jumonji domain containing protein 0.005 0.0024 0.0053
Plasmodium vivax JmjC domain containing protein 0.005 0.0024 0.1463
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0261 0.0258 0.1293
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0032 0.0004 0.0007
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0032 0.0004 0.0007
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.005 0.0024 0.0053
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0032 0.0004 0.0003
Echinococcus granulosus neuropeptide s receptor 0.0518 0.0544 0.0544
Echinococcus granulosus voltage dependent calcium channel subunit 0.4111 0.4531 0.4531
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0075 0.0053 0.0263
Plasmodium falciparum thrombospondin-related anonymous protein 0.0168 0.0155 1
Mycobacterium ulcerans lipase LipD 0.0075 0.0053 0.0263
Onchocerca volvulus Glucosylceramidase homolog 0.0171 0.0159 0.707
Echinococcus multilocularis jumonji domain containing 1A 0.005 0.0024 0.0022
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0032 0.0004 0.0004
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0075 0.0053 0.0263
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0075 0.0053 0.0263
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0032 0.0004 0.0016
Loa Loa (eye worm) hypothetical protein 0.0168 0.0155 0.0775
Onchocerca volvulus 0.0168 0.0155 0.6914
Brugia malayi Zona pellucida-like domain containing protein 0.0168 0.0155 0.0775
Brugia malayi nuclear receptor NHR-88 0.0032 0.0004 0.0016
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0032 0.0004 0.0004
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0032 0.0004 0.0003
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.0076 0.0173
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.005 0.0025 0.0427
Trichomonas vaginalis glucosylceramidase, putative 0.0261 0.0258 0.1849
Echinococcus multilocularis SAM and MBT domain containing protein 0.0055 0.003 0.0028
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0032 0.0004 0.0016
Echinococcus multilocularis inositol monophosphatase 1 0.0077 0.0055 0.0053
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0292 0.0293 1
Trichomonas vaginalis glucosylceramidase, putative 0.0261 0.0258 0.1849
Loa Loa (eye worm) CUTiclin family member 0.0168 0.0155 0.0775
Schistosoma mansoni hypothetical protein 0.0168 0.0155 0.0355
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1236 0.1341 1
Loa Loa (eye worm) hypothetical protein 0.0168 0.0155 0.0775
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.0037 0.0037
Echinococcus granulosus muscleblind protein 0.0332 0.0338 0.0338
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1236 0.1341 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0015 0.0072
Onchocerca volvulus 0.0168 0.0155 0.6914
Loa Loa (eye worm) hypothetical protein 0.0075 0.0053 0.0258
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.0159 0.11
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0032 0.0004 0.0016
Echinococcus granulosus microtubule associated protein 2 0.2976 0.3272 0.3272
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0032 0.0004 0.0003
Echinococcus multilocularis lysine specific demethylase 6a 0.005 0.0024 0.0022
Loa Loa (eye worm) hypothetical protein 0.0081 0.0059 0.029
Loa Loa (eye worm) hypothetical protein 0.0075 0.0053 0.0258
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0077 0.0055 0.1499
Schistosoma mansoni coup transcription factor 0.0032 0.0004 0.0007
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1236 0.1341 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.0053 0.0118
Leishmania major hypothetical protein, conserved 0.005 0.0024 0.0414
Schistosoma mansoni jumonji/arid domain-containing protein 0.0188 0.0178 0.0407
Echinococcus granulosus JmjC domain containing protein 4 0.005 0.0024 0.0024
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0037 0.0082
Brugia malayi jmjC domain containing protein 0.005 0.0024 0.0116
Echinococcus granulosus ecdysone induced protein 78C 0.0032 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0332 0.0338 0.1692
Echinococcus multilocularis voltage dependent calcium channel subunit 0.4111 0.4531 0.453
Schistosoma mansoni jumonji/arid domain-containing protein 0.0188 0.0178 0.0407
Mycobacterium tuberculosis Probable esterase LipL 0.0075 0.0053 0.0263
Loa Loa (eye worm) inositol-1 0.0077 0.0055 0.0269

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.052 uM Inhibition of binding of [3H]-N-Methyl-scopolamine to Muscarinic acetylcholine receptor M1 of transfected A9L cells. ChEMBL. 2066986
Ki (binding) = 0.052 uM Inhibition of binding of [3H]-N-Methyl-scopolamine to Muscarinic acetylcholine receptor M1 of transfected A9L cells. ChEMBL. 2066986
Ki (binding) = 0.078 uM The compound was tested for the inhibition of binding of [3H]-N-Methyl-scopolamine to Muscarinic acetylcholine receptor M3 of transfected A9L cells. ChEMBL. 2066986
Ki (binding) = 0.078 uM The compound was tested for the inhibition of binding of [3H]-N-Methyl-scopolamine to Muscarinic acetylcholine receptor M3 of transfected A9L cells. ChEMBL. 2066986
Ki (binding) = 0.13 uM Inhibition of binding of [3H]-N-Methyl-scopolamine to Muscarinic acetylcholine receptor M4 of NG108-15 cells. ChEMBL. 2066986
Ki (binding) = 0.13 uM Inhibition of binding of [3H]-N-Methyl-scopolamine to Muscarinic acetylcholine receptor M4 of NG108-15 cells. ChEMBL. 2066986
Ki (binding) = 0.21 uM Inhibition of binding of [3H]-N-Methyl-scopolamine to Muscarinic acetylcholine receptor M2 of rat heart tissue membranes. ChEMBL. 2066986
Ki (binding) = 0.21 uM Inhibition of binding of [3H]-N-Methyl-scopolamine to Muscarinic acetylcholine receptor M2 of rat heart tissue membranes. ChEMBL. 2066986

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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