Detailed information for compound 1680129

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 308.417 | Formula: C20H24N2O
  • H donors: 0 H acceptors: 1 LogP: 3.12 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)C(=O)[C@@H](c1ccccc1)Cc1ccccc1
  • InChi: 1S/C20H24N2O/c1-21-12-14-22(15-13-21)20(23)19(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3/t19-/m1/s1
  • InChiKey: AMEZAJPSLZEMQP-LJQANCHMSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cholinergic receptor, muscarinic 1 Starlite/ChEMBL 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.002 0.0015 0.0043
Brugia malayi topoisomerase 0.002 0.0012 0.0003
Loa Loa (eye worm) protein-tyrosine phosphatase 0.037 0.144 0.5718
Trichomonas vaginalis sensory transduction histidine kinase, putative 0.0035 0.0076 0.4127
Schistosoma mansoni nuclear hormone receptor 0.002 0.0015 0.0014
Schistosoma mansoni endoplasmin 0.0035 0.0076 0.0257
Loa Loa (eye worm) hypothetical protein 0.0052 0.0143 0.0552
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0135 0.0521
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0028 0.3406
Leishmania major heat shock protein 83-1 0.0035 0.0076 0.0257
Plasmodium falciparum replication factor C subunit 1, putative 0.002 0.0012 0.1133
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0028 0.375
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0028 0.0534
Wolbachia endosymbiont of Brugia malayi signal transduction histidine kinase and receiver 0.0035 0.0076 1
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0024 0.0028 0.3753
Loa Loa (eye worm) TKL/RAF/RAF protein kinase 0.0144 0.0519 0.2049
Trichomonas vaginalis sensor histidine kinase, putative 0.0035 0.0076 0.4127
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0035 0.0076 1
Leishmania major heat shock protein 83-1 0.0035 0.0076 0.0257
Trypanosoma cruzi Heat shock protein 83, putative 0.0035 0.0076 0.0257
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0015 0.0014
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.0634 0.2516 1
Schistosoma mansoni DNA ligase IV 0.002 0.0012 0.0003
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0012 0.0056
Schistosoma mansoni patched 1 0.0042 0.0104 0.037
Mycobacterium ulcerans two component system response phosphate sensor kinase, PhoR 0.0035 0.0076 1
Leishmania major heat shock protein 83-1 0.0035 0.0076 0.0257
Echinococcus granulosus protein will die slowly 0.0058 0.0167 0.0583
Plasmodium falciparum DNA gyrase subunit B 0.0035 0.0076 1
Echinococcus granulosus replication factor c subunit 1 0.002 0.0012 0.0003
Trypanosoma brucei Heat shock protein 83, putative 0.0035 0.0076 0.0257
Brugia malayi nuclear receptor NHR-88 0.002 0.0015 0.0014
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0028 0.0534
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0015 0.0014
Schistosoma mansoni niemann-pick C1 (NPC1) 0.01 0.0339 0.1308
Brugia malayi Raf kinase 0.0245 0.0931 0.3672
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0118 0.0456
Trypanosoma cruzi heat shock protein 85, putative 0.0035 0.0076 0.0257
Leishmania major heat shock protein 83-1 0.0035 0.0076 0.0257
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0015 0.0043
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0118 0.0428
Leishmania major heat shock protein 83-1 0.0035 0.0076 0.0257
Trichomonas vaginalis receptor histidine kinase, putative 0.0035 0.0076 0.4127
Trichomonas vaginalis mismatch repair protein Mlh1C (mutL homolog) 0.0035 0.0076 0.4127
Mycobacterium ulcerans two component sensor kinase MprB 0.0035 0.0076 1
Entamoeba histolytica DNA topoisomerase II, putative 0.0035 0.0076 0.2003
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0035 0.0076 0.0257
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0011 0.1011
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0076 1
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.019 0.0713
Trichomonas vaginalis WD repeat domain, putative 0.0058 0.0167 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0015 0.0043
Trypanosoma cruzi DNA topoisomerase II, putative 0.0035 0.0076 0.0257
Trypanosoma cruzi hypothetical protein, conserved 0.002 0.0012 0.0003
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0015 0.0013
Loa Loa (eye worm) hypothetical protein 0.0634 0.2516 1
Loa Loa (eye worm) hypothetical protein 0.0465 0.1825 0.7249
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0004 0.0521
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0015 0.0014
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0028 0.3406
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0015 0.0004
Entamoeba histolytica hypothetical protein 0.002 0.0012 0.0027
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0015 0.0043
Echinococcus multilocularis expressed conserved protein 0.0092 0.0308 0.0297
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0015 0.0004
Schistosoma mansoni topbp1 0.002 0.0012 0.0003
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0035 0.0076 1
Entamoeba histolytica hypothetical protein 0.0072 0.0225 0.6652
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0015 0.0013
Plasmodium falciparum DNA topoisomerase 2 0.0035 0.0076 1
Brugia malayi hypothetical protein 0.002 0.0012 0.0003
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0118 0.0107
Entamoeba histolytica hypothetical protein 0.0072 0.0225 0.6652
Brugia malayi Pax transcription activation domain interacting protein 0.002 0.0012 0.0003
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0015 0.0014
Plasmodium falciparum endoplasmin, putative 0.0035 0.0076 1
Mycobacterium leprae PUTATIVE TWO COMPONENT SENSOR HISTIDINE KINASE SENX3 0.0035 0.0076 1
Echinococcus multilocularis raf serine:threonine protein kinase 0.0254 0.0967 0.0957
Echinococcus granulosus heat shock protein 0.0035 0.0076 0.0241
Schistosoma mansoni hypothetical protein 0.0072 0.0225 0.0854
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0035 0.0076 0.0665
Loa Loa (eye worm) hypothetical protein 0.002 0.0015 0.0043
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0015 0.0004
Mycobacterium ulcerans two component sensory transduction histidine kinase MtrB 0.0035 0.0076 1
Trypanosoma cruzi heat shock protein 85, putative 0.0035 0.0076 0.0257
Toxoplasma gondii heat shock protein 90, putative 0.0035 0.0076 0.0665
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.002 0.0012 0.0056
Plasmodium vivax DNA gyrase subunit B, putative 0.0035 0.0076 1
Loa Loa (eye worm) TAR-binding protein 0.0063 0.019 0.0739
Onchocerca volvulus 0.0084 0.0275 0.8148
Schistosoma mansoni heat shock protein 0.0035 0.0076 0.0257
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0095 0.0318 0.1225
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0634 0.2516 0.2508
Brugia malayi hypothetical protein 0.0465 0.1825 0.7241
Echinococcus granulosus Protein patched homolog 1 0.0042 0.0104 0.0346
Trypanosoma cruzi pyruvate dehydrogenase (lipoamide) kinase, putative 0.0222 0.0835 0.329
Trypanosoma brucei heat shock protein 90, putative 0.0035 0.0076 0.0257
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0015 0.0043
Schistosoma mansoni transcription factor LCR-F1 0.0072 0.0225 0.0854
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0011 0.1011
Trypanosoma brucei heat shock protein, putative 0.0035 0.0076 0.0257
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0028 0.375
Mycobacterium tuberculosis Two component sensor histidine kinase TrcS 0.0035 0.0076 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0028 0.3406
Loa Loa (eye worm) hypothetical protein 0.002 0.0012 0.0032
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0028 0.3406
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0015 0.0013
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.0035 0.0076 1
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.002 0.0012 0.0003
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0015 0.0043
Loa Loa (eye worm) hypothetical protein 0.002 0.0012 0.0032
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.002 0.0012 0.0056
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0035 0.0076 0.1968
Mycobacterium tuberculosis Possible two component system response sensor kinase membrane associated PhoR 0.0035 0.0076 1
Trypanosoma cruzi heat shock protein 85, putative 0.0035 0.0076 0.0257
Plasmodium vivax replication factor C subunit 1, putative 0.002 0.0012 0.1133
Brugia malayi Protein-tyrosine phosphatase containing protein 0.037 0.144 0.5705
Mycobacterium tuberculosis Probable two component sensor kinase 0.0035 0.0076 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0104 0.0398
Echinococcus granulosus raf serine:threonine protein kinase 0.0254 0.0967 0.3575
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0015 0.0014
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0015 0.0014
Loa Loa (eye worm) hypothetical protein 0.0024 0.0028 0.0097
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0015 0.0014
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.019 0.0739
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0015 0.0014
Loa Loa (eye worm) hypothetical protein 0.002 0.0012 0.0032
Giardia lamblia Replication factor C, subunit 1 0.002 0.0012 0.0135
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0257 0.0979 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0015 0.0014
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0035 0.0076 0.4127
Mycobacterium tuberculosis Conserved protein 0.0035 0.0076 1
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0024 0.0028 0.2668
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0015 0.0014
Brugia malayi steroid hormone receptor 0.002 0.0015 0.0014
Schistosoma mansoni tar DNA-binding protein 0.0063 0.019 0.0713
Brugia malayi Will die slowly protein 0.0058 0.0167 0.0623
Leishmania major phosphopantetheinyl transferase-like protein 0.0024 0.0028 0.0069
Loa Loa (eye worm) hypothetical protein 0.0084 0.0275 0.1079
Toxoplasma gondii DNA topoisomerase 2, putative 0.0035 0.0076 0.0665
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0118 0.0401
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0015 0.0014
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0015 0.0013
Echinococcus multilocularis heat shock protein 0.0035 0.0076 0.0064
Echinococcus granulosus nibrin 0.002 0.0012 0.0003
Leishmania major heat shock protein 83-1 0.0035 0.0076 0.0257
Onchocerca volvulus 0.0058 0.0167 0.4807
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.0015 0.0004
Loa Loa (eye worm) hypothetical protein 0.002 0.0015 0.0043
Echinococcus multilocularis protein will die slowly 0.0058 0.0167 0.0156
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0084 0.0275 0.1054
Mycobacterium tuberculosis Two component sensor kinase [second part] 0.0035 0.0076 1
Brugia malayi RNA binding protein 0.0063 0.019 0.0713
Loa Loa (eye worm) hypothetical protein 0.0024 0.0028 0.0097
Loa Loa (eye worm) hypothetical protein 0.002 0.0015 0.0043
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0035 0.0076 0.0241
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0035 0.0076 0.0257
Trypanosoma brucei pyruvate dehydrogenase (lipoamide) kinase, putative 0.0222 0.0835 0.329
Trypanosoma cruzi DNA topoisomerase II, putative 0.0035 0.0076 0.0257
Schistosoma mansoni survival motor neuron protein 0.0095 0.0318 0.1225
Loa Loa (eye worm) hypothetical protein 0.002 0.0012 0.0032
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0015 0.0014
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.0104 0.0398
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.002 0.0012 0.0027
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0118 0.0428
Loa Loa (eye worm) hypothetical protein 0.002 0.0012 0.0032
Loa Loa (eye worm) hypothetical protein 0.005 0.0135 0.0521
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0024 0.0028 0.3409
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0028 0.0068
Schistosoma mansoni coup transcription factor 0.002 0.0015 0.0014
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0015 0.0014
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0135 0.0493
Trypanosoma brucei heat shock protein, putative 0.0035 0.0076 0.0257
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.002 0.0012 0.0056
Loa Loa (eye worm) hypothetical protein 0.0098 0.0333 0.1308
Schistosoma mansoni hypothetical protein 0.0041 0.0098 0.0345
Leishmania major heat shock protein 83-1 0.0035 0.0076 0.0257
Echinococcus multilocularis tar DNA binding protein 0.0063 0.019 0.0179
Leishmania major heat shock protein 83-1 0.0035 0.0076 0.0257
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0028 0.0068
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0035 0.0076 0.0257
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0015 0.0013
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0035 0.0076 0.1968
Toxoplasma gondii pyruvate dehydrogenase kinase, putative 0.0222 0.0835 0.8515
Schistosoma mansoni endoplasmin 0.0035 0.0076 0.0257
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0072 0.0225 0.0214
Brugia malayi CHE-14 protein 0.0042 0.0104 0.037
Mycobacterium leprae Probable two-component sensor kinase 0.0035 0.0076 1
Mycobacterium tuberculosis Possible two component sensor kinase TcrY 0.0035 0.0076 1
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.002 0.0012 0.0009
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0035 0.0076 0.0665
Trichomonas vaginalis heat shock protein, putative 0.0035 0.0076 0.4127
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0028 0.0068
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0015 0.0013
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0028 0.2564
Onchocerca volvulus Bile acid receptor homolog 0.002 0.0015 0.0082
Leishmania major heat shock protein 83-1 0.0035 0.0076 0.0257
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0024 0.0028 0.0177
Onchocerca volvulus Protein ultraspiracle homolog 0.002 0.0015 0.0082
Plasmodium vivax endoplasmin, putative 0.0035 0.0076 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0015 0.0014
Echinococcus granulosus tar DNA binding protein 0.0063 0.019 0.0668
Mycobacterium tuberculosis Two component sensor kinase MprB 0.0035 0.0076 1
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.002 0.0012 0.0003
Loa Loa (eye worm) heat shock protein 90 0.0035 0.0076 0.0285
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0015 0.0014
Trypanosoma brucei hypothetical protein, conserved 0.0024 0.0028 0.0069
Mycobacterium tuberculosis Two component sensor histidine kinase PrrB 0.0035 0.0076 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0015 0.0014
Schistosoma mansoni DNA topoisomerase II 0.0035 0.0076 0.0257
Mycobacterium tuberculosis Probable sensor protein KdpD 0.0035 0.0076 1
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0015 0.0014
Schistosoma mansoni pyruvate dehydrogenase 0.0634 0.2516 1
Leishmania major developmentally regulated phosphoprotein-like protein 0.0634 0.2516 1
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0015 0.0014
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0035 0.0076 0.4127
Trichomonas vaginalis replication factor C large subunit, putative 0.002 0.0012 0.0056
Entamoeba histolytica hypothetical protein 0.0072 0.0225 0.6652
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0024 0.0028 0.3409
Loa Loa (eye worm) RNA binding protein 0.0063 0.019 0.0739
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0035 0.0076 1
Trypanosoma brucei heat shock protein, putative 0.0035 0.0076 0.0257
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0035 0.0076 1
Trichomonas vaginalis endoplasmin, putative 0.0035 0.0076 0.4127
Trypanosoma brucei heat shock protein, putative 0.0035 0.0076 0.0257
Echinococcus granulosus tumor protein p63 0.0676 0.2686 1
Trypanosoma brucei heat shock protein 90, putative 0.0035 0.0076 0.0257
Leishmania major heat shock protein 83-1 0.0035 0.0076 0.0257
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0104 0.5937
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0135 0.0493
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0035 0.0076 1
Leishmania major heat shock protein 83-1 0.0035 0.0076 0.0257
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0024 0.0028 0.3409
Schistosoma mansoni tar DNA-binding protein 0.0063 0.019 0.0713
Mycobacterium ulcerans hypothetical protein 0.0024 0.0028 0.3406
Treponema pallidum DNA ligase (lig) 0.002 0.0012 0.0135
Trypanosoma brucei heat shock protein, putative 0.0035 0.0076 0.0257
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0015 0.0013
Echinococcus granulosus FTZ F1 alpha 0.002 0.0015 0.0013
Loa Loa (eye worm) hypothetical protein 0.0035 0.0076 0.0285
Onchocerca volvulus 0.0095 0.0318 0.9477
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0118 0.0401
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0024 0.0028 0.3409
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0015 0.0004
Trypanosoma brucei heat shock protein, putative 0.0035 0.0076 0.0257
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.037 0.144 0.5705
Brugia malayi hypothetical protein 0.002 0.0012 0.0003
Brugia malayi ecdysteroid receptor 0.002 0.0015 0.0014
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.002 0.0012 0.0003
Echinococcus multilocularis nibrin 0.002 0.0012 0.0001
Echinococcus multilocularis Niemann Pick C1 protein 0.0098 0.0333 0.0322
Echinococcus granulosus Niemann Pick C1 protein 0.0141 0.0505 0.1845
Schistosoma mansoni tar DNA-binding protein 0.0063 0.019 0.0713
Echinococcus granulosus heat shock protein 90 0.0035 0.0076 0.0241
Plasmodium falciparum heat shock protein 90 0.0035 0.0076 1
Leishmania major heat shock protein 83-1 0.0035 0.0076 0.0257
Schistosoma mansoni chromosome transmission fidelity factor 0.002 0.0012 0.0003
Echinococcus granulosus survival motor neuron protein 1 0.0465 0.1825 0.6783
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0012 0.0056
Schistosoma mansoni tar DNA-binding protein 0.0063 0.019 0.0713
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0012 0.0056
Onchocerca volvulus 0.0099 0.0335 1
Plasmodium falciparum DNA topoisomerase VI, b subunit, putative 0.0035 0.0076 1
Schistosoma mansoni hypothetical protein 0.0041 0.0098 0.0345
Loa Loa (eye worm) hypothetical protein 0.002 0.0015 0.0043
Chlamydia trachomatis DNA gyrase subunit B 0.0035 0.0076 1
Schistosoma mansoni thyroid hormone receptor 0.002 0.0015 0.0014
Mycobacterium ulcerans two component regulator - sensor kinase 0.0035 0.0076 1
Plasmodium vivax DNA topoisomerase II, putative 0.0035 0.0076 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0028 0.3406
Toxoplasma gondii heat shock protein HSP90 0.0035 0.0076 0.0665
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0015 0.0014
Entamoeba histolytica hypothetical protein 0.0072 0.0225 0.6652
Trypanosoma brucei heat shock protein, putative 0.0035 0.0076 0.0257
Mycobacterium tuberculosis Possible two component sensor kinase 0.0035 0.0076 1
Brugia malayi hypothetical protein 0.0072 0.0225 0.0854
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0634 0.2516 0.9367
Leishmania major DNA topoisomerase ii 0.0035 0.0076 0.0257
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.002 0.0015 0.0082
Echinococcus multilocularis tumor protein p63 0.0676 0.2686 0.2677
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0071 0.0237
Plasmodium vivax heat shock protein 86, putative 0.0035 0.0076 1
Trypanosoma brucei developmentally regulated phosphoprotein 0.0634 0.2516 1
Mycobacterium ulcerans two component system membrane associated sensor kinase 0.0035 0.0076 1
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0035 0.0076 1
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.002 0.0012 0.1132
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0035 0.0076 0.0257
Brugia malayi Endoplasmin precursor 0.0035 0.0076 0.0257
Toxoplasma gondii ATPase, AAA family protein 0.002 0.0012 0.0009
Echinococcus granulosus L aminoadipate semialdehyde 0.0084 0.0275 0.0987
Mycobacterium ulcerans two component sensor histidine kinase TrcS 0.0035 0.0076 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0098 0.0333 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0011 0.0029
Echinococcus multilocularis protein dispatched 1 0.0048 0.0128 0.0117
Loa Loa (eye worm) hypothetical protein 0.0099 0.0335 0.1317
Mycobacterium ulcerans DNA gyrase subunit B 0.0035 0.0076 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0015 0.0043
Echinococcus multilocularis protein patched 0.0042 0.0104 0.0093
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0015 0.0004
Brugia malayi DKFZp564C0469 protein 0.002 0.0012 0.0003
Loa Loa (eye worm) hypothetical protein 0.0024 0.0028 0.0097
Entamoeba histolytica heat shock protein 90, putative 0.0035 0.0076 0.2003
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0028 0.0068
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0012 0.0056
Schistosoma mansoni tar DNA-binding protein 0.0063 0.019 0.0713
Trypanosoma cruzi FHA domain containing protein, putative 0.002 0.0012 0.0003
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0028 0.2564
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0015 0.0004
Onchocerca volvulus 0.0024 0.0028 0.0505
Trypanosoma cruzi Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0035 0.0076 0.0257
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0028 0.3406
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0028 0.0534
Leishmania major heat shock protein 83-1 0.0035 0.0076 0.0257
Echinococcus multilocularis replication factor c subunit 1 0.002 0.0012 0.0001
Loa Loa (eye worm) raf kinase 0.0253 0.0962 0.3814
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0015 0.0014
Trypanosoma brucei heat shock protein, putative 0.0035 0.0076 0.0257
Echinococcus granulosus expressed conserved protein 0.0092 0.0308 0.1111
Trypanosoma cruzi heat shock protein 90, putative 0.0035 0.0076 0.0257
Schistosoma mansoni hypothetical protein 0.0034 0.0071 0.0237
Schistosoma mansoni cellular tumor antigen P53 0.0099 0.0335 0.1292
Chlamydia trachomatis DNA ligase 0.002 0.0012 0.1132
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0118 0.0428
Schistosoma mansoni hypothetical protein 0.0041 0.0098 0.0345
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0072 0.0225 0.08
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0118 0.0428
Echinococcus multilocularis survival motor neuron protein 1 0.0465 0.1825 0.1816
Mycobacterium ulcerans two component sensor histidine kinase SenX3 0.0035 0.0076 1
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0024 0.0028 0.3409
Mycobacterium ulcerans two component sensor histidine kinase PrrB 0.0035 0.0076 1
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0015 0.0014
Loa Loa (eye worm) hypothetical protein 0.002 0.0015 0.0043
Chlamydia trachomatis DNA gyrase subunit B 0.0035 0.0076 1
Schistosoma mansoni heat shock protein 0.0035 0.0076 0.0257
Mycobacterium ulcerans putative regultory protein 0.0035 0.0076 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0015 0.0014
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0084 0.0275 0.1054
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0035 0.0076 0.1968
Brugia malayi nuclear hormone receptor 0.002 0.0015 0.0014
Brugia malayi Niemann-Pick C1 protein precursor 0.0098 0.0333 0.1283
Trypanosoma brucei Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0035 0.0076 0.0257
Entamoeba histolytica hypothetical protein 0.0024 0.0028 0.0534
Echinococcus multilocularis Niemann Pick C1 protein 0.0141 0.0505 0.0494
Leishmania major hypothetical protein, conserved 0.0035 0.0076 0.0257
Echinococcus multilocularis heat shock protein 90 0.0035 0.0076 0.0064
Leishmania major pyruvate dehydrogenase (lipoamide) kinase, putative 0.0222 0.0835 0.329
Treponema pallidum chemotaxis histidine kinase (cheA) 0.0035 0.0076 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0015 0.0013
Mycobacterium leprae TWO COMPONENT SENSOR HISTIDINE KINASE PRRB 0.0035 0.0076 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0035 0.0076 0.0257
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.0104 0.0346
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.0104 0.0093
Leishmania major heat shock protein 83-1 0.0035 0.0076 0.0257
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0015 0.0014
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0011 0.1011
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0028 0.0068
Mycobacterium leprae conserved hypothetical protein 0.0024 0.0028 0.2568
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0015 0.0014
Schistosoma mansoni hypothetical protein 0.0095 0.0318 0.1225
Brugia malayi heat shock protein 90 0.0035 0.0076 0.0257
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0035 0.0076 0.0257
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0015 0.0043
Trichomonas vaginalis two component sensor and regulator histidine kinase bacteria, putative 0.0035 0.0076 0.4127
Loa Loa (eye worm) hypothetical protein 0.002 0.0015 0.0043
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0015 0.0043
Mycobacterium tuberculosis Two component sensory transduction histidine kinase MtrB 0.0035 0.0076 1
Trypanosoma cruzi hypothetical protein, conserved 0.002 0.0012 0.0003
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0011 0.148
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0024 0.0028 0.0177
Mycobacterium ulcerans sensor kinase from two component regulatory system 0.0035 0.0076 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.037 0.144 0.1431
Mycobacterium leprae Probable two component sensor kinase MprB 0.0035 0.0076 1
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.037 0.144 0.5344
Trichomonas vaginalis heat shock protein, putative 0.0035 0.0076 0.4127
Brugia malayi kinase, mitochondrial precursor 0.0634 0.2516 1
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0024 0.0028 0.2668
Brugia malayi Probable DNA topoisomerase II 0.0035 0.0076 0.0257
Giardia lamblia Heat shock protein HSP 90-alpha 0.0035 0.0076 1
Leishmania major heat shock protein 83-1 0.0035 0.0076 0.0257
Echinococcus multilocularis L aminoadipate semialdehyde 0.0084 0.0275 0.0264
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0015 0.0004
Loa Loa (eye worm) WD40 repeat protein 0.0058 0.0167 0.065
Leishmania major heat shock protein 83-1 0.0035 0.0076 0.0257
Schistosoma mansoni pyruvate dehydrogenase 0.0599 0.2372 0.9426
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0118 0.0107
Loa Loa (eye worm) hypothetical protein 0.002 0.0012 0.0032
Trypanosoma brucei DNA topoisomerase ii 0.0035 0.0076 0.0257
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.002 0.0012 0.0056
Loa Loa (eye worm) hypothetical protein 0.0035 0.0076 0.0285
Schistosoma mansoni hypothetical protein 0.0058 0.0167 0.0623
Loa Loa (eye worm) endoplasmin 0.0035 0.0076 0.0285
Loa Loa (eye worm) TOPoisomerase family member 0.0035 0.0076 0.0285
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0634 0.2516 0.2508
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0012 0.0056
Schistosoma mansoni topbp1 0.002 0.0012 0.0003
Trypanosoma cruzi heat shock protein 90, putative 0.0035 0.0076 0.0257
Wolbachia endosymbiont of Brugia malayi membrane associated signal transduction histidine kinase 0.0035 0.0076 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0028 0.3406
Entamoeba histolytica heat shock protein 90, putative 0.0035 0.0076 0.2003
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.002 0.0012 0.0135
Leishmania major heat shock protein 83-1 0.0035 0.0076 0.0257
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0015 0.0014
Onchocerca volvulus 0.002 0.0015 0.0082
Brugia malayi TAR-binding protein 0.0063 0.019 0.0713
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0015 0.0043
Schistosoma mansoni serine/threonine protein kinase 0.0254 0.0967 0.3816
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0015 0.0004
Schistosoma mansoni pyruvate dehydrogenase 0.0599 0.2372 0.9426
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0028 0.0068
Trichomonas vaginalis DNA topoisomerase II, putative 0.0035 0.0076 0.4127
Giardia lamblia Pms1-like protein 0.0035 0.0076 1
Leishmania major mitochondrial DNA topoisomerase II 0.0035 0.0076 0.0257
Schistosoma mansoni thyroid hormone receptor 0.002 0.0015 0.0014
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0035 0.0076 0.0064
Loa Loa (eye worm) hypothetical protein 0.0034 0.0071 0.0265
Trichomonas vaginalis receptor histidine kinase, putative 0.0035 0.0076 0.4127
Echinococcus granulosus Niemann Pick C1 protein 0.0098 0.0333 0.1202
Schistosoma mansoni hypothetical protein 0.0041 0.0098 0.0345

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells ChEMBL. 23062550
IC50 (functional) = 33 nM Antagonist activity at human muscarinic M1 receptor ChEMBL. 23062550
Inhibition (functional) Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of Ach-mediated response by calcium mobilization assay ChEMBL. 23062550

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

1 literature reference was collected for this gene.

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