Detailed information for compound 1448533

Basic information

Technical information
  • TDR Targets ID: 1448533
  • Name: ethyl 1-[2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl )acetyl]piperidine-4-carboxylate
  • MW: 374.431 | Formula: C20H26N2O5
  • H donors: 0 H acceptors: 3 LogP: 2.23 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1CCN(CC1)C(=O)CN1C(=O)C(CC)Oc2c1cccc2
  • InChi: 1S/C20H26N2O5/c1-3-16-19(24)22(15-7-5-6-8-17(15)27-16)13-18(23)21-11-9-14(10-12-21)20(25)26-4-2/h5-8,14,16H,3-4,9-13H2,1-2H3
  • InChiKey: YRWSCBJXPYEBGZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester
  • 1-[2-(2-ethyl-3-keto-1,4-benzoxazin-4-yl)acetyl]isonipecotic acid ethyl ester
  • ethyl 1-[2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)ethanoyl]piperidine-4-carboxylate
  • EU-0030994
  • MLS000096174
  • SMR000032122
  • ethyl 1-[(2-ethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl]piperidine-4-carboxylate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) melatonin receptor type 1A 0.0016 0.0052 0.0036
Schistosoma mansoni voltage-gated potassium channel 0.0016 0.0051 0.0051
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Schistosoma mansoni biogenic amine (5HT) receptor 0.0016 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0016 0.0052 0.0036
Mycobacterium tuberculosis Probable amidase AmiD (acylamidase) (acylase) 0.0132 0.1124 0.1247
Plasmodium vivax PST-A protein 0.0749 0.6813 1
Echinococcus multilocularis dro:myosuppressin receptor 0.0016 0.0052 0.0036
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0039 0.0267 0.037
Schistosoma mansoni hypothetical protein 0.0016 0.0052 0.0052
Toxoplasma gondii phospholipase 0.0044 0.0313 0.1873
Echinococcus multilocularis rhodopsin orphan GPCR 0.0016 0.0052 0.0036
Brugia malayi Amidase family protein 0.0132 0.1124 0.111
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.0052 0.0052
Brugia malayi neuropeptide F receptor 0.0016 0.0052 0.0036
Schistosoma mansoni histamine h1 receptor 0.0016 0.0052 0.0052
Plasmodium vivax lysophospholipase, putative 0.0044 0.0313 0.0162
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0016 0.0051 0.0036
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.2541 0.2529
Loa Loa (eye worm) G-protein coupled receptor 0.0016 0.0052 0.0036
Echinococcus granulosus g-protein coupled receptor 0.0016 0.0052 0.0036
Toxoplasma gondii phospholipase/carboxylesterase 0.0044 0.0313 0.1873
Plasmodium vivax PST-A protein 0.0044 0.0313 0.0162
Brugia malayi MGC79044 protein 0.0044 0.0313 0.0298
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0132 0.1124 1
Trypanosoma cruzi hypothetical protein, conserved 0.0157 0.1357 0.1605
Trypanosoma cruzi monoglyceride lipase, putative 0.0749 0.6813 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Echinococcus granulosus fatty acid amide hydrolase 1 0.1094 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.0052 0.0052
Echinococcus multilocularis neuropeptides capa receptor 0.0016 0.0052 0.0036
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Mycobacterium tuberculosis Possible lysophospholipase 0.0749 0.6813 1
Mycobacterium tuberculosis Probable amidase AmiB2 (aminohydrolase) 0.0132 0.1124 0.1247
Giardia lamblia Cgi67 serine protease precursor-like protein 0.0044 0.0313 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0016 0.0052 0.0036
Mycobacterium tuberculosis Possible amidase (aminohydrolase) 0.0132 0.1124 0.1247
Echinococcus granulosus geminin 0.0205 0.1794 0.1781
Mycobacterium leprae PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A) 0.0132 0.1124 0.1388
Brugia malayi Serotonin receptor 0.0016 0.0052 0.0036
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0016 0.0052 0.0052
Plasmodium vivax unspecified product 0.0044 0.0313 0.0162
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0313 0.0438
Echinococcus multilocularis rhodopsin orphan GPCR 0.0016 0.0052 0.0036
Mycobacterium ulcerans lysophospholipase 0.0749 0.6813 1
Echinococcus granulosus neuropeptide Y receptor 0.0016 0.0052 0.0036
Plasmodium falciparum alpha/beta hydrolase, putative 0.0044 0.0313 0.0162
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0045 0.0325 0.031
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Schistosoma mansoni survival motor neuron protein 0.0058 0.0444 0.0444
Plasmodium vivax lysophospholipase, putative 0.0044 0.0313 0.0162
Brugia malayi hypothetical protein 0.0016 0.0052 0.0036
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Brugia malayi Dopamine receptor protein 1 0.0016 0.0052 0.0036
Brugia malayi ORL1-like opioid receptor 0.0016 0.0052 0.0036
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.0778 0.0763
Echinococcus granulosus 7TM GPCR rhodopsin 0.0016 0.0052 0.0036
Echinococcus granulosus tm gpcr rhodopsin 0.0016 0.0052 0.0036
Schistosoma mansoni biogenic amine receptor 0.0016 0.0052 0.0052
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0016 0.0052 0.0052
Plasmodium falciparum epoxide hydrolase 2 0.0044 0.0313 0.0162
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Toxoplasma gondii hydrolase, alpha/beta fold family protein 0.0044 0.0313 0.1873
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.0052 0.0052
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0039 0.0267 0.037
Brugia malayi hypothetical protein 0.0016 0.0052 0.0036
Trypanosoma brucei monoglyceride lipase, putative 0.0749 0.6813 1
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.0361 0.0361
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0.0778 0.0864
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0045 0.0325 0.031
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0313 0.0438
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0444 0.0429
Echinococcus granulosus neuropeptide receptor A26 0.0016 0.0052 0.0036
Brugia malayi putative neuropeptide receptor 0.0016 0.0052 0.0036
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0062 0.0477 0.0252
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0016 0.0052 0.0036
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0016 0.0052 0.0036
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Trichomonas vaginalis conserved hypothetical protein 0.0749 0.6813 1
Echinococcus granulosus peptidase Clp S14 family 0.0062 0.0477 0.0463
Plasmodium falciparum esterase, putative 0.0749 0.6813 1
Mycobacterium ulcerans peptide amidase, GatA 0.0132 0.1124 0.1247
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Brugia malayi Probable ClpP-like protease 0.0094 0.0778 0.0763
Schistosoma mansoni amine GPCR 0.0016 0.0052 0.0052
Plasmodium falciparum lysophospholipase, putative 0.0749 0.6813 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Echinococcus granulosus g protein coupled receptor 0.0016 0.0052 0.0036
Echinococcus multilocularis neuropeptide Y receptor 0.0016 0.0052 0.0036
Echinococcus multilocularis rhodopsin orphan GPCR 0.0016 0.0052 0.0036
Brugia malayi G-protein coupled receptor 0.0016 0.0052 0.0036
Mycobacterium ulcerans hypothetical protein 0.0749 0.6813 1
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0313 0.0438
Plasmodium falciparum BEM46-like protein, putative 0.0044 0.0313 0.0162
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Brugia malayi sulfakinin receptor protein 0.0016 0.0052 0.0036
Echinococcus granulosus 7tm_1 domain containing protein 0.0016 0.0052 0.0036
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0016 0.0052 0.0052
Schistosoma mansoni neuropeptide receptor 0.0016 0.0052 0.0052
Mycobacterium leprae PROBABLE AMIDASE AMIC (AMINOHYDROLASE) 0.0132 0.1124 0.1388
Echinococcus granulosus rhodopsin orphan GPCR 0.0016 0.0052 0.0036
Brugia malayi GnHR receptor homolog 0.0016 0.0052 0.0036
Echinococcus granulosus fmrfamide receptor 0.0016 0.0052 0.0036
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Toxoplasma gondii hydrolase, alpha/beta fold family protein 0.0044 0.0313 0.1873
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0062 0.0477 0.0252
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Mycobacterium ulcerans amidase 0.0132 0.1124 0.1247
Trypanosoma brucei monoglyceride lipase, putative 0.0749 0.6813 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Loa Loa (eye worm) hypothetical protein 0.0044 0.0313 0.0298
Plasmodium falciparum alpha/beta-hydrolase, putative 0.0044 0.0313 0.0162
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Schistosoma mansoni hypothetical protein 0.0058 0.0444 0.0444
Schistosoma mansoni neuropeptide receptor 0.0016 0.0052 0.0052
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0016 0.0052 0.0036
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0313 0.0438
Echinococcus granulosus neuropeptide FF receptor 2 0.0016 0.0052 0.0036
Plasmodium falciparum lysophospholipase, putative 0.0749 0.6813 1
Brugia malayi hypothetical protein 0.0016 0.0052 0.0036
Schistosoma mansoni growth hormone secretagogue receptor 0.0016 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0132 0.1124 0.1124
Mycobacterium ulcerans amidase 0.0132 0.1124 0.1247
Trypanosoma brucei fatty-acid amide hydrolase, putative 0.0132 0.1124 0.1247
Echinococcus granulosus tachykinin peptides receptor 99D 0.0016 0.0052 0.0036
Schistosoma mansoni amidase 0.1094 1 1
Echinococcus granulosus neuropeptide receptor 0.0016 0.0052 0.0036
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.0778 1
Brugia malayi AKH receptor 0.0016 0.0052 0.0036
Echinococcus granulosus peptide allatostatin:somatostatin 0.0016 0.0052 0.0036
Mycobacterium ulcerans aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0132 0.1124 0.1247
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0062 0.0477 0.041
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0313 0.0438
Leishmania major hypothetical protein, conserved 0.0044 0.0313 0.00000012837
Brugia malayi hypothetical protein 0.0016 0.0052 0.0036
Schistosoma mansoni opsin-like receptor 0.0016 0.0052 0.0052
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0016 0.0052 0.0036
Echinococcus multilocularis neuropeptide FF receptor 2 0.0016 0.0052 0.0036
Echinococcus multilocularis fatty acid amide hydrolase 1 0.1094 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.0016 0.0052 0.0036
Echinococcus granulosus abhydrolase domain containing 3 0.0044 0.0313 0.0298
Echinococcus granulosus transient receptor potential cation channel 0.0694 0.6309 0.6303
Echinococcus granulosus orexin receptor type 2 0.0016 0.0052 0.0036
Echinococcus multilocularis serotonin receptor 0.0016 0.0052 0.0036
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0016 0.0052 0.0052
Echinococcus multilocularis rhodopsin orphan GPCR 0.0016 0.0052 0.0036
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0016 0.0052 0.0036
Trichomonas vaginalis conserved hypothetical protein 0.0749 0.6813 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0016 0.0052 0.0036
Brugia malayi putative amidase 0.0132 0.1124 0.111
Echinococcus multilocularis allatostatin A receptor 0.0016 0.0052 0.0036
Leishmania major hypothetical protein, conserved 0.0132 0.1124 0.1247
Echinococcus multilocularis transient receptor potential cation channel 0.0695 0.6319 0.6313
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0749 0.6813 1
Toxoplasma gondii peptidase S15, putative 0.0044 0.0313 0.1873
Echinococcus granulosus allatostatin A receptor 0.0016 0.0052 0.0036
Mycobacterium ulcerans amidase 0.0132 0.1124 0.1247
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Echinococcus granulosus tm gpcr rhodopsin 0.0016 0.0052 0.0036
Schistosoma mansoni neuropeptide f receptor 76f 0.0016 0.0052 0.0052
Echinococcus granulosus rhodopsin orphan GPCR 0.0016 0.0052 0.0036
Brugia malayi hypothetical protein 0.0016 0.0052 0.0036
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0016 0.0052 0.0036
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0016 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.0286 0.2541 0.2529
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Schistosoma mansoni neuropeptide F-like receptor 0.0016 0.0052 0.0052
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0016 0.0052 0.0036
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0016 0.0052 0.0036
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0749 0.6813 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0012 0.0016 0.0016
Plasmodium falciparum lysophospholipase, putative 0.0749 0.6813 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0016 0.0052 0.0036
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.0778 0.5728
Loa Loa (eye worm) hypothetical protein 0.0016 0.0051 0.0036
Plasmodium vivax PST-A protein 0.0044 0.0313 0.0162
Brugia malayi Dopamine receptor 0.0016 0.0052 0.0036
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0749 0.6813 1
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0016 0.0052 0.0036
Schistosoma mansoni biogenic amine (5HT) receptor 0.0016 0.0052 0.0052
Brugia malayi Serotonin receptor 0.0016 0.0052 0.0036
Echinococcus granulosus g protein coupled receptor 0.0016 0.0052 0.0036
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0132 0.1124 0.1388
Trypanosoma brucei lipase domain protein, putative 0.0157 0.1357 0.1605
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0749 0.6813 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.0778 1
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0016 0.0052 0.0036
Toxoplasma gondii hypothetical protein 0.0044 0.0313 0.1873
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0016 0.0052 0.0036
Plasmodium vivax hypothetical protein, conserved 0.0044 0.0313 0.0162
Brugia malayi hypothetical protein 0.0016 0.0052 0.0036
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0132 0.1124 1
Mycobacterium tuberculosis Probable amidase AmiA2 (aminohydrolase) 0.0132 0.1124 0.1247
Schistosoma mansoni biogenic amine receptor 0.0016 0.0052 0.0052
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0016 0.0052 0.0052
Echinococcus multilocularis neuropeptide receptor 0.0016 0.0052 0.0036
Leishmania major monoglyceride lipase, putative 0.0749 0.6813 1
Loa Loa (eye worm) lipase 0.0157 0.1357 0.1343
Brugia malayi neuropeptide F receptor 0.0016 0.0052 0.0036
Schistosoma mansoni family S9 unassigned peptidase (S09 family) 0.0044 0.0313 0.0313
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0016 0.0052 0.0052
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0045 0.0325 0.031
Echinococcus granulosus dro:myosuppressin receptor 0.0016 0.0052 0.0036
Echinococcus multilocularis g protein coupled receptor 0.0016 0.0052 0.0036
Echinococcus multilocularis rhodopsin orphan GPCR 0.0016 0.0052 0.0036
Schistosoma mansoni hypothetical protein 0.0016 0.0052 0.0052
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0749 0.6813 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0016 0.0052 0.0052
Echinococcus granulosus neuropeptides capa receptor 0.0016 0.0052 0.0036
Schistosoma mansoni peptidase 0.0044 0.0313 0.0313
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Trichomonas vaginalis lipase containing protein, putative 0.0157 0.1357 0.1973
Schistosoma mansoni fatty-acid amide hydrolase 0.0132 0.1124 0.1124
Plasmodium falciparum prodrug activation and resistance esterase 0.0044 0.0313 0.0162
Brugia malayi Lipase family protein 0.0157 0.1357 0.1343
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0045 0.0325 0.031
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0016 0.0052 0.0052
Mycobacterium tuberculosis Probable amidase AmiC (aminohydrolase) 0.0132 0.1124 0.1247
Loa Loa (eye worm) hypothetical protein 0.004 0.0274 0.0259
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Echinococcus multilocularis neuropeptides capa receptor 0.0016 0.0052 0.0036
Plasmodium falciparum alpha/beta hydrolase fold domain containing protein, putative 0.0044 0.0313 0.0162
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0044 0.0313 0.0438
Schistosoma mansoni hypothetical protein 0.0016 0.0052 0.0052
Echinococcus granulosus fatty acid amide hydrolase 1 0.1094 1 1
Brugia malayi RE15519p 0.0016 0.0052 0.0036
Echinococcus granulosus tm gpcr rhodopsin 0.0016 0.0052 0.0036
Brugia malayi G protein-coupled receptor 0.0016 0.0052 0.0036
Loa Loa (eye worm) hypothetical protein 0.0044 0.0313 0.0298
Echinococcus multilocularis sn1 specific diacylglycerol lipase beta 0.0157 0.1357 0.1343
Toxoplasma gondii protein c14orf29, putative 0.0044 0.0313 0.1873
Echinococcus multilocularis serotonin receptor 0.0016 0.0052 0.0036
Plasmodium vivax unspecified product 0.0044 0.0313 0.0162
Plasmodium vivax PST-A protein 0.0044 0.0313 0.0162
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Schistosoma mansoni biogenic amine receptor 0.0016 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Schistosoma mansoni neuropeptide receptor 0.0016 0.0052 0.0052
Echinococcus granulosus rhodopsin orphan GPCR 0.0016 0.0052 0.0036
Echinococcus multilocularis G-protein coupled receptor, putative 0.0016 0.0052 0.0036
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0044 0.0313 0.0438
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.0052 0.0052
Schistosoma mansoni amine GPCR 0.0016 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0132 0.1124 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Loa Loa (eye worm) amidase 0.0132 0.1124 0.111
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0016 0.0052 0.0052
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.0361 0.0361
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0016 0.0052 0.0036
Schistosoma mansoni voltage-gated potassium channel 0.0016 0.0051 0.0051
Plasmodium falciparum lysophospholipase, putative 0.0044 0.0313 0.0162
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0044 0.0313 0.0438
Echinococcus granulosus fatty acid amide hydrolase 1 0.0132 0.1124 0.111
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0313 0.0438
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0749 0.6813 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0016 0.0052 0.0052
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0749 0.6813 1
Brugia malayi hypothetical protein 0.0016 0.0052 0.0036
Brugia malayi MGC83647 protein 0.0044 0.0313 0.0298
Echinococcus multilocularis rhodopsin orphan GPCR 0.0016 0.0052 0.0036
Echinococcus multilocularis sex peptide receptor 0.0016 0.0052 0.0036
Loa Loa (eye worm) hypothetical protein 0.0044 0.0313 0.0298
Schistosoma mansoni amine GPCR 0.0016 0.0052 0.0052
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0016 0.0052 0.0036
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.0778 0.5728
Plasmodium falciparum lysophospholipase, putative 0.0044 0.0313 0.0162
Schistosoma mansoni adenoreceptor 0.0016 0.0052 0.0052
Echinococcus granulosus rhodopsin orphan GPCR 0.0016 0.0052 0.0036
Plasmodium vivax PST-A protein 0.0044 0.0313 0.0162
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Echinococcus granulosus voltage gated potassium channel 0.0016 0.0051 0.0036
Brugia malayi Amidase family protein 0.0132 0.1124 0.111
Schistosoma mansoni hypothetical protein 0.0205 0.1794 0.1794
Plasmodium falciparum alpha/beta hydrolase, putative 0.0044 0.0313 0.0162
Echinococcus multilocularis g protein coupled receptor 0.0016 0.0052 0.0036
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Echinococcus multilocularis rhodopsin orphan GPCR 0.0016 0.0052 0.0036
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0044 0.0313 0.0438
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0016 0.0052 0.0036
Plasmodium vivax alpha/beta hydrolase, putative 0.0044 0.0313 0.0162
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0044 0.0313 0.0438
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0044 0.0313 0.0438
Plasmodium falciparum alpha/beta hydrolase, putative 0.0044 0.0313 0.0162
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.0778 0.0763
Plasmodium falciparum esterase, putative 0.0044 0.0313 0.0162
Echinococcus granulosus alpha 1A adrenergic receptor 0.0016 0.0052 0.0036
Trypanosoma cruzi hypothetical protein, conserved 0.0157 0.1357 0.1605
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0132 0.1124 0.111
Brugia malayi larval opioid receptor 0.0016 0.0052 0.0036
Loa Loa (eye worm) neuropeptide F receptor 0.0016 0.0052 0.0036
Echinococcus multilocularis ankyrin repeat protein 0.0688 0.6251 0.6245
Loa Loa (eye worm) amidase 0.0132 0.1124 0.111
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0313 0.0438
Echinococcus granulosus neuropeptide s receptor 0.0016 0.0052 0.0036
Brugia malayi Melatonin receptor type 1A 0.0016 0.0052 0.0036
Echinococcus multilocularis abhydrolase domain containing 3 0.0044 0.0313 0.0298
Schistosoma mansoni amine GPCR 0.0016 0.0052 0.0052
Echinococcus multilocularis Phospholipase carboxylesterase 0.0044 0.0313 0.0298
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Brugia malayi Dopamine receptor protein 2 0.0016 0.0052 0.0036
Echinococcus multilocularis fmrfamide receptor 0.0016 0.0052 0.0036
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.0778 0.0714
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0016 0.0052 0.0036
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0016 0.0052 0.0036
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0016 0.0052 0.0036
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.0052 0.0052
Echinococcus granulosus g protein coupled receptor 0.0016 0.0052 0.0036
Plasmodium vivax alpha/beta hydrolase, putative 0.0044 0.0313 0.0162
Plasmodium falciparum alpha/beta hydrolase, putative 0.0044 0.0313 0.0162
Mycobacterium ulcerans amidase 0.0132 0.1124 0.1247
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0016 0.0052 0.0036
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0016 0.0051 0.0036
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0.0778 0.6226
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.0778 0.0778
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0044 0.0313 0.0438
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0313 0.0438
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.0094 0.0778 0.0763
Echinococcus granulosus rhodopsin orphan GPCR 0.0016 0.0052 0.0036
Schistosoma mansoni alpha-1 adrenergic receptor 0.0016 0.0052 0.0052
Echinococcus granulosus biogenic amine 5HT receptor 0.0016 0.0052 0.0036
Onchocerca volvulus 0.0157 0.1357 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Trichomonas vaginalis lipase containing protein, putative 0.0157 0.1357 0.1973
Loa Loa (eye worm) hypothetical protein 0.0044 0.0313 0.0298
Echinococcus multilocularis rhodopsin orphan GPCR 0.0016 0.0052 0.0036
Echinococcus multilocularis neuropeptide receptor A26 0.0016 0.0052 0.0036
Echinococcus granulosus ankyrin repeat protein 0.0688 0.6251 0.6245
Echinococcus multilocularis neuropeptide s receptor 0.0016 0.0052 0.0036
Echinococcus multilocularis neuropeptide receptor 0.0016 0.0052 0.0036
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0016 0.0051 0.0036
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0749 0.6813 1
Echinococcus granulosus neuropeptide receptor 0.0016 0.0052 0.0036
Brugia malayi Tachykinin-like peptides receptor 99D 0.0016 0.0052 0.0036
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0016 0.0052 0.0036
Trypanosoma cruzi amidase, putative 0.0132 0.1124 0.1247
Schistosoma mansoni hypothetical protein 0.0205 0.1794 0.1794
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0012 0.0016 0.0016
Loa Loa (eye worm) neuropeptide F receptor 0.0016 0.0052 0.0036
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0012 0.0016 0.0016
Schistosoma mansoni opsin-like receptor 0.0016 0.0052 0.0052
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0132 0.1124 0.1388
Echinococcus granulosus Phospholipase carboxylesterase 0.0044 0.0313 0.0298
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.0052 0.0052
Brugia malayi Protein C20orf22 0.0044 0.0313 0.0298
Loa Loa (eye worm) hypothetical protein 0.1094 1 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0062 0.0477 0.0463
Brugia malayi hypothetical protein 0.0016 0.0052 0.0036
Echinococcus granulosus sn1 specific diacylglycerol lipase beta 0.0157 0.1357 0.1343
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0016 0.0052 0.0036
Schistosoma mansoni myosin xvIII 0.0016 0.0052 0.0052
Echinococcus granulosus rhodopsin orphan GPCR 0.0016 0.0052 0.0036
Echinococcus multilocularis fatty acid amide hydrolase 1 0.1094 1 1
Schistosoma mansoni amine GPCR 0.0016 0.0052 0.0052
Echinococcus granulosus somatostatin receptor 0.0016 0.0052 0.0036
Echinococcus multilocularis geminin 0.0205 0.1794 0.1781
Brugia malayi hypothetical protein 0.0286 0.2541 0.2529
Echinococcus multilocularis monoacylglycerol lipase abhd12 0.0044 0.0313 0.0298
Plasmodium vivax hypothetical protein, conserved 0.0044 0.0313 0.0162
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0132 0.1124 0.111
Brugia malayi hypothetical protein 0.0016 0.0052 0.0036
Schistosoma mansoni opsin-like receptor 0.0016 0.0052 0.0052
Schistosoma mansoni hypothetical protein 0.0016 0.0052 0.0052
Plasmodium vivax hypothetical protein, conserved 0.0044 0.0313 0.0162
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.0778 0.0864
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0044 0.0313 0.0438
Toxoplasma gondii esterase/lipase/thioesterase domain-containing protein 0.0044 0.0313 0.1873
Echinococcus multilocularis somatostatin receptor 0.0016 0.0052 0.0036
Plasmodium falciparum alpha/beta hydrolase, putative 0.0044 0.0313 0.0162
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Plasmodium falciparum esterase, putative 0.0044 0.0313 0.0162
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0044 0.0313 0.0438
Brugia malayi hypothetical protein 0.0016 0.0052 0.0036
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0012 0.0016 0.0016
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0016 0.0052 0.0036
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.0052 0.0052
Plasmodium falciparum exported lipase 2 0.0044 0.0313 0.0162
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0016 0.0052 0.0036
Loa Loa (eye worm) TYRA-2 protein 0.0016 0.0052 0.0036
Plasmodium vivax lysophospholipase, putative 0.0044 0.0313 0.0162
Echinococcus granulosus G protein coupled receptor 139 0.0016 0.0052 0.0036
Echinococcus granulosus biogenic amine 5HT receptor 0.0016 0.0052 0.0036
Toxoplasma gondii hypothetical protein 0.0044 0.0313 0.1873
Brugia malayi G-protein coupled receptor 0.0016 0.0052 0.0036
Echinococcus multilocularis g protein coupled receptor 0.0016 0.0052 0.0036
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.2541 0.2529
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0016 0.0052 0.0036
Trypanosoma brucei lipase domain protein, putative 0.0157 0.1357 0.1605
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.0778 0.0714
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Brugia malayi G protein-coupled receptor F59B2.13 0.0016 0.0052 0.0036
Toxoplasma gondii hypothetical protein 0.0044 0.0313 0.1873
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Brugia malayi putative neuropeptide receptor NPR1 0.0016 0.0052 0.0036
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0016 0.0052 0.0052
Echinococcus multilocularis voltage gated potassium channel 0.0016 0.0051 0.0036
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Echinococcus multilocularis g-protein coupled receptor 0.0016 0.0052 0.0036
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0016 0.0052 0.0036
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0749 0.6813 1
Onchocerca volvulus 0.0058 0.0444 0.3003
Plasmodium falciparum exported lipase 1 0.0044 0.0313 0.0162
Loa Loa (eye worm) hypothetical protein 0.0044 0.0313 0.0298
Echinococcus granulosus abhydrolase domain containing protein 13 0.0044 0.0313 0.0298
Schistosoma mansoni family S9 unassigned peptidase (S09 family) 0.0044 0.0313 0.0313
Echinococcus multilocularis fmrfamide receptor 0.0016 0.0052 0.0036
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0313 0.0438
Echinococcus granulosus serotonin receptor 0.0016 0.0052 0.0036
Toxoplasma gondii hypothetical protein 0.0044 0.0313 0.1873
Schistosoma mansoni neuropeptide F-like receptor 0.0016 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0012 0.0016 0.0016
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.0052 0.0052
Trypanosoma cruzi amidase, putative 0.0132 0.1124 0.1247
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0016 0.0052 0.0052
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0016 0.0052 0.0036
Echinococcus granulosus neuropeptide Y receptor 0.0016 0.0052 0.0036
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0016 0.0052 0.0036
Schistosoma mansoni transient receptor potential cation channel subfamily A member 0.0688 0.6251 0.6251
Echinococcus multilocularis G protein coupled receptor 139 0.0016 0.0052 0.0036
Echinococcus granulosus hypothetical protein 0.0016 0.0052 0.0036
Brugia malayi follicle stimulating hormone receptor 0.0016 0.0052 0.0036
Echinococcus granulosus neuropeptides capa receptor 0.0016 0.0052 0.0036
Schistosoma mansoni neuropeptide receptor 0.0016 0.0052 0.0052
Plasmodium vivax PST-A protein 0.0044 0.0313 0.0162
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0132 0.1124 0.111
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Echinococcus multilocularis orexin receptor type 2 0.0016 0.0052 0.0036
Mycobacterium ulcerans amidase 0.0132 0.1124 0.1247
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0016 0.0052 0.0036
Schistosoma mansoni fatty-acid amide hydrolase 0.1094 1 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Echinococcus granulosus sex peptide receptor 0.0016 0.0052 0.0036
Echinococcus granulosus monoacylglycerol lipase abhd12 0.0044 0.0313 0.0298
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0094 0.0778 0.0864
Echinococcus multilocularis neuropeptide Y receptor 0.0016 0.0052 0.0036
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0036
Leishmania major hypothetical protein, conserved 0.0157 0.1357 0.1605

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.9285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 1.4581 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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