Detailed information for compound 1995204

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 430.968 | Formula: C24H31ClN2O3
  • H donors: 1 H acceptors: 1 LogP: 4.25 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CN(C(=O)CCNCc1ccccc1)Cc1cc(Cl)c2c(c1)OCCCO2)C
  • InChi: 1S/C24H31ClN2O3/c1-18(2)16-27(23(28)9-10-26-15-19-7-4-3-5-8-19)17-20-13-21(25)24-22(14-20)29-11-6-12-30-24/h3-5,7-8,13-14,18,26H,6,9-12,15-17H2,1-2H3
  • InChiKey: ZUTHMXOBWMDNFP-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Cricetulus griseus Prokineticin receptor 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Prokineticin receptor 2   391 aa 329 aa 28.9 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Prokineticin receptor 2   391 aa 406 aa 21.9 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Prokineticin receptor 2   391 aa 379 aa 21.6 %
Onchocerca volvulus Prokineticin receptor 2   391 aa 330 aa 20.9 %
Schistosoma mansoni peptide (allatostatin)-like receptor Prokineticin receptor 2   391 aa 375 aa 24.0 %
Echinococcus multilocularis neuropeptide receptor Prokineticin receptor 2   391 aa 329 aa 30.1 %
Echinococcus granulosus thyrotropin releasing hormone receptor Prokineticin receptor 2   391 aa 379 aa 22.2 %
Echinococcus multilocularis allatostatin A receptor Prokineticin receptor 2   391 aa 340 aa 22.9 %
Echinococcus granulosus neuropeptide receptor Prokineticin receptor 2   391 aa 322 aa 31.1 %
Echinococcus multilocularis neuropeptide receptor Prokineticin receptor 2   391 aa 357 aa 24.6 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Prokineticin receptor 2   391 aa 376 aa 22.6 %
Echinococcus granulosus allatostatin A receptor Prokineticin receptor 2   391 aa 372 aa 23.1 %
Onchocerca volvulus Prokineticin receptor 2   391 aa 321 aa 27.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0034 0.5721
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0023 0.0066
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0016 0.0002 0.0002
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0016 0.0002 0.0002
Echinococcus granulosus JmjC domain containing protein 4 0.0021 0.0022 0.0063
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0016 0.0005 0.0142
Loa Loa (eye worm) MH2 domain-containing protein 0.0016 0.0005 0.0007
Loa Loa (eye worm) TAR-binding protein 0.0072 0.0209 0.0604
Loa Loa (eye worm) PHD-finger family protein 0.0065 0.0182 0.0525
Echinococcus multilocularis polycomb protein SCMH1 0.0052 0.0137 0.0137
Echinococcus granulosus dna polymerase kappa 0.0021 0.0023 0.0066
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0016 0.0002 0.0002
Echinococcus granulosus biogenic amine 5HT receptor 0.0016 0.0002 0.0006
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0024 0.0034 0.0092
Onchocerca volvulus Alhambra homolog 0.0065 0.0182 1
Schistosoma mansoni hypothetical protein 0.0081 0.0241 0.0697
Schistosoma mansoni Smad4 0.0016 0.0005 0.0007
Echinococcus granulosus neuropeptide s receptor 0.0016 0.0002 0.0006
Echinococcus granulosus phd:f box containing protein 0.0021 0.0022 0.0063
Echinococcus granulosus mothers against decapentaplegic 2 0.0016 0.0005 0.0013
Schistosoma mansoni hypothetical protein 0.0317 0.1111 0.3233
Brugia malayi jmjC domain containing protein 0.0021 0.0022 0.0057
Brugia malayi Latrophilin receptor protein 2 0.0088 0.0269 0.0779
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0023 0.0247
Echinococcus granulosus rhodopsin orphan GPCR 0.0016 0.0002 0.0006
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0088 0.0269 0.0269
Loa Loa (eye worm) hypothetical protein 0.0021 0.0022 0.0057
Loa Loa (eye worm) Smad1 0.0036 0.0078 0.0222
Plasmodium vivax hypothetical protein, conserved 0.0021 0.0023 0.006
Echinococcus multilocularis Smad4 0.0036 0.0078 0.0078
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0021 0.0022 0.0063
Schistosoma mansoni tar DNA-binding protein 0.0072 0.0209 0.0604
Brugia malayi Smad1 0.0036 0.0078 0.0222
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0059 0.0163 0.0476
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0016 0.0002 0.0002
Echinococcus granulosus biogenic amine 5HT receptor 0.0016 0.0002 0.0006
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0211 0.0721 0.2102
Loa Loa (eye worm) hypothetical protein 0.0065 0.0182 0.0525
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0023 0.0515
Echinococcus granulosus neuropeptide Y receptor 0.0016 0.0002 0.0006
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0023 0.006
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0206 0.0701 0.0701
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0023 0.0247
Schistosoma mansoni hypothetical protein 0.0191 0.0646 0.1877
Plasmodium falciparum phd finger protein, putative 0.0065 0.0182 1
Schistosoma mansoni tar DNA-binding protein 0.0072 0.0209 0.0604
Echinococcus granulosus polycomb protein SCMH1 0.0052 0.0137 0.0399
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0024 0.0034 0.075
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0023 0.0247
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0021 0.0023 0.022
Toxoplasma gondii PHD-finger domain-containing protein 0.0065 0.0182 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0078 0.0232 0.067
Brugia malayi MH2 domain containing protein 0.0016 0.0005 0.0007
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0016 0.0002 0.0002
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.0742 0.267 0.7781
Echinococcus granulosus jumonji domain containing 1A 0.0021 0.0022 0.0063
Echinococcus granulosus alpha 1A adrenergic receptor 0.0016 0.0002 0.0006
Echinococcus granulosus mothers against decapentaplegic 6 0.0016 0.0005 0.0013
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0023 0.0515
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0023 0.006
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0052 0.0137 0.0393
Loa Loa (eye worm) nuclear factor I 0.002 0.0019 0.0049
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0016 0.0002 0.0006
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0023 0.0247
Schistosoma mansoni sex comb on midleg homolog 0.0052 0.0137 0.0393
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0016 0.0002 0.0002
Schistosoma mansoni jumonji/arid domain-containing protein 0.0078 0.0232 0.067
Schistosoma mansoni serine/threonine protein kinase 0.0742 0.267 0.7781
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0023 0.0247
Brugia malayi jmjC domain containing protein 0.0211 0.0721 0.2097
Brugia malayi PHD-finger family protein 0.0021 0.0023 0.006
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0023 0.0247
Echinococcus multilocularis orexin receptor type 2 0.0016 0.0002 0.0002
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0206 0.0701 0.2042
Entamoeba histolytica Ran family GTPase 0.0024 0.0034 0.0502
Brugia malayi Calcitonin receptor-like protein seb-1 0.0279 0.097 0.2823
Echinococcus multilocularis fmrfamide receptor 0.0016 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0033 0.0065 0.0185
Trichomonas vaginalis importin beta-1, putative 0.0027 0.0043 1
Brugia malayi mothers against decapentaplegic homolog 3 0.0016 0.0005 0.0007
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0023 0.0023
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0024 0.0034 0.0688
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0279 0.097 0.2823
Brugia malayi jmjC domain containing protein 0.0078 0.0232 0.067
Schistosoma mansoni hypothetical protein 0.0088 0.0269 0.0779
Echinococcus multilocularis rhodopsin orphan GPCR 0.0016 0.0002 0.0002
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0065 1
Echinococcus multilocularis somatostatin receptor 0.0016 0.0002 0.0002
Toxoplasma gondii PHD-finger domain-containing protein 0.0021 0.0023 0.006
Echinococcus granulosus GPCR family 2 0.0088 0.0269 0.0785
Echinococcus granulosus TGF beta signal transducer SmadC 0.0036 0.0078 0.0228
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.0021 0.0023 0.006
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0023 0.5
Echinococcus granulosus peptide allatostatin:somatostatin 0.0016 0.0002 0.0006
Echinococcus granulosus c-Jun N-terminal kinases 0.0949 0.3431 1
Echinococcus multilocularis neuropeptides capa receptor 0.0016 0.0002 0.0002
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0016 0.0002 0.0006
Schistosoma mansoni sex comb on midleg homolog 0.0052 0.0137 0.0393
Echinococcus multilocularis smad 0.0036 0.0078 0.0078
Loa Loa (eye worm) transcription factor SMAD2 0.0533 0.1902 0.5539
Schistosoma mansoni smad 0.0036 0.0078 0.0222
Schistosoma mansoni jumonji domain containing protein 0.0168 0.0562 0.1632
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0016 0.0002 0.0006
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0081 0.0241 0.0241
Loa Loa (eye worm) jmjC domain-containing protein 0.0021 0.0022 0.0057
Echinococcus granulosus orexin receptor type 2 0.0016 0.0002 0.0006
Loa Loa (eye worm) hypothetical protein 0.0021 0.0023 0.006
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0023 0.0515
Echinococcus multilocularis g protein coupled receptor 0.0016 0.0002 0.0002
Echinococcus multilocularis snurportin 1 0.035 0.1229 0.1229
Echinococcus multilocularis rhodopsin orphan GPCR 0.0016 0.0002 0.0002
Echinococcus granulosus hypothetical protein 0.0016 0.0002 0.0006
Echinococcus multilocularis neuropeptide Y receptor 0.0016 0.0002 0.0002
Echinococcus granulosus importin subunit beta 1 0.0033 0.0065 0.019
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.035 0.1229 0.3579
Loa Loa (eye worm) hypothetical protein 0.0021 0.0022 0.0057
Brugia malayi Bromodomain containing protein 0.0065 0.0182 0.0525
Brugia malayi jmjC domain containing protein 0.0021 0.0022 0.0057
Echinococcus granulosus peregrin 0.0065 0.0182 0.0531
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0021 0.0023 0.006
Loa Loa (eye worm) mbt repeat family protein 0.0052 0.0137 0.0393
Echinococcus granulosus mothers against decapentaplegic 5 0.0036 0.0078 0.0228
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0023 0.0247
Echinococcus multilocularis neuropeptide receptor 0.0016 0.0002 0.0002
Schistosoma mansoni smad1 5 8 and 0.0036 0.0078 0.0222
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0034 0.5721
Echinococcus multilocularis mothers against decapentaplegic 5 0.0036 0.0078 0.0078
Brugia malayi Stress-activated protein kinase jnk-1 0.0949 0.3431 1
Echinococcus granulosus neuropeptide FF receptor 2 0.0016 0.0002 0.0006
Schistosoma mansoni ran 0.0024 0.0034 0.0092
Echinococcus granulosus tar DNA binding protein 0.0072 0.0209 0.061
Echinococcus granulosus GTP binding nuclear protein Ran 0.0024 0.0034 0.0098
Schistosoma mansoni Smad4 0.0036 0.0078 0.0222
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0088 0.0269 0.0779
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0072 0.0209 0.0604
Echinococcus multilocularis JmjC domain containing protein 4 0.0021 0.0022 0.0022
Echinococcus multilocularis neuropeptide receptor 0.0016 0.0002 0.0002
Entamoeba histolytica hypothetical protein 0.0081 0.0241 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0016 0.0002 0.0002
Echinococcus multilocularis G-protein coupled receptor, putative 0.0016 0.0002 0.0002
Echinococcus multilocularis rhodopsin orphan GPCR 0.0016 0.0002 0.0002
Echinococcus granulosus SAM and MBT domain containing protein 0.0052 0.0137 0.0399
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0023 0.006
Echinococcus granulosus snurportin 1 0.035 0.1229 0.3583
Echinococcus multilocularis GPCR, family 2 0.0088 0.0269 0.0269
Echinococcus multilocularis importin subunit beta 1 0.0033 0.0065 0.0065
Echinococcus granulosus geminin 0.0922 0.3332 0.9712
Echinococcus multilocularis mothers against decapentaplegic 6 0.0016 0.0005 0.0005
Brugia malayi AF-10 protein 0.0021 0.0023 0.006
Schistosoma mansoni transcription factor LCR-F1 0.0081 0.0241 0.0697
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0036 0.0078 0.0078
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0016 0.0002 0.0002
Schistosoma mansoni serine/threonine protein kinase 0.0949 0.3431 1
Echinococcus granulosus g protein coupled receptor 0.0016 0.0002 0.0006
Loa Loa (eye worm) jmjC domain-containing protein 0.0021 0.0022 0.0057
Plasmodium vivax importin-beta 2, putative 0.0033 0.0065 0.2729
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0016 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0016 0.0005 0.0007
Entamoeba histolytica hypothetical protein 0.0081 0.0241 1
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0024 0.0034 0.075
Brugia malayi jmjC domain containing protein 0.0021 0.0022 0.0057
Leishmania major DNA polymerase kappa, putative 0.0021 0.0023 0.0515
Leishmania major importin beta-1 subunit, putative 0.0027 0.0043 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0016 0.0002 0.0006
Loa Loa (eye worm) hypothetical protein 0.0191 0.0646 0.1877
Brugia malayi MH2 domain containing protein 0.0036 0.0078 0.0222
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0081 0.0241 0.0703
Brugia malayi F/Y-rich N-terminus family protein 0.0021 0.0023 0.006
Echinococcus granulosus fmrfamide receptor 0.0016 0.0002 0.0006
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.0742 0.267 0.267
Loa Loa (eye worm) MH1 domain-containing protein 0.0016 0.0005 0.0007
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0059 0.0163 0.047
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0024 0.0034 0.0034
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0016 0.0002 0.0006
Echinococcus multilocularis jumonji domain containing 1A 0.0021 0.0022 0.0022
Echinococcus granulosus serotonin receptor 0.0016 0.0002 0.0006
Echinococcus granulosus tm gpcr rhodopsin 0.0016 0.0002 0.0006
Echinococcus multilocularis fmrfamide receptor 0.0016 0.0002 0.0002
Echinococcus multilocularis g protein coupled receptor 0.0016 0.0002 0.0002
Entamoeba histolytica hypothetical protein 0.0081 0.0241 1
Schistosoma mansoni importin beta-1 0.0033 0.0065 0.0185
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0088 0.0269 0.0785
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0024 0.0034 0.0092
Brugia malayi Importin beta-1 subunit 0.0033 0.0065 0.0185
Echinococcus multilocularis serotonin receptor 0.0016 0.0002 0.0002
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0949 0.3431 1
Echinococcus multilocularis mothers against decapentaplegic 2 0.0016 0.0005 0.0005
Schistosoma mansoni smad1 5 8 and 0.0036 0.0078 0.0222
Brugia malayi TAR-binding protein 0.0072 0.0209 0.0604
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0023 0.0247
Loa Loa (eye worm) jmjC domain-containing protein 0.0021 0.0022 0.0057
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.0021 0.0023 0.006
Echinococcus granulosus neuropeptide Y receptor 0.0016 0.0002 0.0006
Echinococcus granulosus lysine specific demethylase 5A 0.0078 0.0232 0.0676
Echinococcus multilocularis allatostatin A receptor 0.0016 0.0002 0.0002
Echinococcus granulosus histone acetyltransferase MYST2 0.0059 0.0163 0.0476
Echinococcus multilocularis neuropeptide s receptor 0.0016 0.0002 0.0002
Echinococcus multilocularis rhodopsin orphan GPCR 0.0016 0.0002 0.0002
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0024 0.0034 0.075
Schistosoma mansoni hypothetical protein 0.0922 0.3332 0.9711
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0023 0.0247
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0016 0.0002 0.0006
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0023 0.5
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0059 0.0163 0.0163
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0023 0.5
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0016 0.0002 0.0002
Echinococcus granulosus rhodopsin orphan GPCR 0.0016 0.0002 0.0006
Toxoplasma gondii HEAT repeat-containing protein 0.0033 0.0065 0.2729
Echinococcus multilocularis g protein coupled receptor 0.0016 0.0002 0.0002
Schistosoma mansoni protein phosphatase 2C 0.0021 0.0022 0.0057
Echinococcus granulosus neuropeptide receptor 0.0016 0.0002 0.0006
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0023 0.0247
Echinococcus granulosus neuropeptide receptor A26 0.0016 0.0002 0.0006
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0263 0.0909 0.0909
Echinococcus multilocularis serotonin receptor 0.0016 0.0002 0.0002
Echinococcus multilocularis sex peptide receptor 0.0016 0.0002 0.0002
Echinococcus multilocularis rhodopsin orphan GPCR 0.0016 0.0002 0.0002
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0065 0.0182 0.0525
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0023 0.0247
Schistosoma mansoni DNA polymerase eta 0.0021 0.0023 0.006
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0453 0.161 0.4688
Schistosoma mansoni smad 0.0016 0.0005 0.0007
Echinococcus granulosus g protein coupled receptor 0.0016 0.0002 0.0006
Echinococcus granulosus neuropeptides capa receptor 0.0016 0.0002 0.0006
Echinococcus multilocularis lysine specific demethylase 6a 0.0021 0.0022 0.0022
Echinococcus multilocularis geminin 0.0922 0.3332 0.3332
Echinococcus granulosus MAP kinase activated protein kinase 2 0.0742 0.267 0.7783
Echinococcus multilocularis neuropeptides capa receptor 0.0016 0.0002 0.0002
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0036 0.0078 0.0222
Entamoeba histolytica hypothetical protein 0.0027 0.0043 0.0914
Echinococcus granulosus neuropeptide receptor 0.0016 0.0002 0.0006
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0052 0.0137 0.7486
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0016 0.0002 0.0002
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0021 0.0023 0.022
Echinococcus granulosus rhodopsin orphan GPCR 0.0016 0.0002 0.0006
Brugia malayi PHD-finger family protein 0.0065 0.0182 0.0525
Echinococcus granulosus somatostatin receptor 0.0016 0.0002 0.0006
Trypanosoma brucei unspecified product 0.0021 0.0023 0.0247
Loa Loa (eye worm) RNA binding protein 0.0072 0.0209 0.0604
Loa Loa (eye worm) hypothetical protein 0.0453 0.161 0.4688
Echinococcus granulosus sex peptide receptor 0.0016 0.0002 0.0006
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0021 0.0022 0.0022
Brugia malayi jmjC domain containing protein 0.0021 0.0022 0.0057
Echinococcus granulosus rhodopsin orphan GPCR 0.0016 0.0002 0.0006
Schistosoma mansoni hypothetical protein 0.0088 0.0269 0.0779
Leishmania major GTP-binding protein, putative 0.0024 0.0034 0.5721
Brugia malayi latrophilin 2 splice variant baaae 0.0191 0.0646 0.1877
Echinococcus multilocularis peregrin 0.0065 0.0182 0.0182
Schistosoma mansoni hypothetical protein 0.0088 0.0269 0.0779
Brugia malayi MH1 domain containing protein 0.0036 0.0078 0.0222
Brugia malayi map kinase activated protein kinase protein 2 0.0742 0.267 0.7781
Brugia malayi MH1 domain containing protein 0.0036 0.0078 0.0222
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0024 0.0034 0.2749
Schistosoma mansoni Smad4 0.0016 0.0005 0.0007
Echinococcus granulosus g-protein coupled receptor 0.0016 0.0002 0.0006
Echinococcus granulosus rhodopsin orphan GPCR 0.0016 0.0002 0.0006
Brugia malayi RNA recognition motif domain containing protein 0.0072 0.0209 0.0604
Schistosoma mansoni hypothetical protein 0.0088 0.0269 0.0779
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0023 0.5
Schistosoma mansoni phd/f-box containing protein 0.0021 0.0022 0.0057
Schistosoma mansoni tar DNA-binding protein 0.0072 0.0209 0.0604
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0949 0.3431 0.3431
Echinococcus granulosus tm gpcr rhodopsin 0.0016 0.0002 0.0006
Echinococcus multilocularis PHD finger protein rhinoceros 0.0065 0.0182 0.0182
Echinococcus multilocularis g-protein coupled receptor 0.0016 0.0002 0.0002
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0023 0.0247
Echinococcus multilocularis lysine specific demethylase 5A 0.0078 0.0232 0.0232
Echinococcus multilocularis neuropeptide Y receptor 0.0016 0.0002 0.0002
Echinococcus granulosus 7tm_1 domain containing protein 0.0016 0.0002 0.0006
Loa Loa (eye worm) MH2 domain-containing protein 0.0036 0.0078 0.0222
Leishmania major DNA polymerase eta, putative 0.0021 0.0023 0.0515
Schistosoma mansoni ran 0.0024 0.0034 0.0092
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0023 0.0515
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0021 0.0022 0.0057
Echinococcus multilocularis neuropeptide FF receptor 2 0.0016 0.0002 0.0002
Brugia malayi MH1 domain containing protein 0.002 0.0019 0.0049
Brugia malayi RNA binding protein 0.0072 0.0209 0.0604
Brugia malayi hypothetical protein 0.0081 0.0241 0.0697
Schistosoma mansoni jumonji domain containing protein 0.0021 0.0022 0.0057
Loa Loa (eye worm) hypothetical protein 0.0088 0.0269 0.0779
Loa Loa (eye worm) MBCTL1 0.0059 0.0163 0.047
Onchocerca volvulus 0.0052 0.0137 0.7486
Echinococcus granulosus lysine specific demethylase 6a 0.0021 0.0022 0.0063
Loa Loa (eye worm) latrophilin receptor protein 2 0.0088 0.0269 0.0779
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0023 0.0515
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0023 0.0247
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0023 0.006
Brugia malayi RNA, U transporter 1 0.0093 0.0287 0.0831
Echinococcus granulosus smad 0.0036 0.0078 0.0228
Echinococcus multilocularis SAM and MBT domain containing protein 0.0052 0.0137 0.0137
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0016 0.0002 0.0002
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0016 0.0002 0.0006
Plasmodium vivax hypothetical protein, conserved 0.0065 0.0182 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0027 0.0043 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0133 0.0434 0.1261
Toxoplasma gondii PHD-finger domain-containing protein 0.0065 0.0182 1
Echinococcus multilocularis dro:myosuppressin receptor 0.0016 0.0002 0.0002
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.0023 0.0247
Schistosoma mansoni hypothetical protein 0.0021 0.0023 0.006
Loa Loa (eye worm) MH1 domain-containing protein 0.0036 0.0078 0.0222
Loa Loa (eye worm) hypothetical protein 0.0052 0.0137 0.0393
Brugia malayi MH1 domain containing protein 0.002 0.0019 0.0049
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0023 0.0023
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0211 0.0721 0.0721
Echinococcus multilocularis phd:f box containing protein 0.0021 0.0022 0.0022
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0023 0.006
Echinococcus granulosus dro:myosuppressin receptor 0.0016 0.0002 0.0006
Brugia malayi MH2 domain containing protein 0.0533 0.1902 0.5539
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0016 0.0002 0.0002
Schistosoma mansoni myelin transcription factor 1 myt1 0.0059 0.0163 0.047
Echinococcus multilocularis jumonji domain containing protein 0.009 0.0275 0.0275
Schistosoma mansoni hypothetical protein 0.0065 0.0182 0.0525
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0263 0.0909 0.265
Echinococcus granulosus jumonji domain containing protein 0.009 0.0275 0.0801
Loa Loa (eye worm) hypothetical protein 0.0059 0.0163 0.047
Echinococcus multilocularis tar DNA binding protein 0.0072 0.0209 0.0209
Echinococcus granulosus g protein coupled receptor 0.0016 0.0002 0.0006
Echinococcus granulosus PHD finger protein rhinoceros 0.0065 0.0182 0.0531
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0065 1
Schistosoma mansoni hypothetical protein 0.035 0.1229 0.3579
Loa Loa (eye worm) hypothetical protein 0.0021 0.0023 0.006
Echinococcus granulosus tm gpcr rhodopsin 0.0016 0.0002 0.0006
Echinococcus granulosus G protein coupled receptor 139 0.0016 0.0002 0.0006
Echinococcus granulosus dna polymerase eta 0.0021 0.0023 0.0066
Echinococcus multilocularis dna polymerase eta 0.0021 0.0023 0.0023
Echinococcus granulosus rhodopsin orphan GPCR 0.0016 0.0002 0.0006
Plasmodium falciparum importin beta, putative 0.0033 0.0065 0.2729
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0043 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0533 0.1902 0.5539
Entamoeba histolytica hypothetical protein 0.0081 0.0241 1
Echinococcus granulosus Smad4 0.0036 0.0078 0.0228
Schistosoma mansoni hypothetical protein 0.0922 0.3332 0.9711
Schistosoma mansoni smad1 5 8 and 0.0036 0.0078 0.0222
Trichomonas vaginalis ran, putative 0.0024 0.0034 0.5488
Echinococcus granulosus 7TM GPCR rhodopsin 0.0016 0.0002 0.0006
Brugia malayi mbt repeat family protein 0.0052 0.0137 0.0393
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0043 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0016 0.0002 0.0002
Echinococcus multilocularis neuropeptide receptor A26 0.0016 0.0002 0.0002
Schistosoma mansoni tar DNA-binding protein 0.0072 0.0209 0.0604
Echinococcus granulosus allatostatin A receptor 0.0016 0.0002 0.0006
Brugia malayi MH2 domain containing protein 0.0036 0.0078 0.0222
Echinococcus granulosus tachykinin peptides receptor 99D 0.0016 0.0002 0.0006
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0016 0.0002 0.0002
Schistosoma mansoni phosphatidylserine receptor 0.0021 0.0022 0.0057
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0016 0.0002 0.0002
Echinococcus granulosus neuropeptides capa receptor 0.0016 0.0002 0.0006
Loa Loa (eye worm) hypothetical protein 0.0111 0.0351 0.1019
Echinococcus multilocularis G protein coupled receptor 139 0.0016 0.0002 0.0002
Loa Loa (eye worm) jmjC domain-containing protein 0.0078 0.0232 0.067
Brugia malayi mbt repeat family protein 0.0052 0.0137 0.0393
Trypanosoma cruzi DNA polymerase eta, putative 0.0021 0.0023 0.0515
Echinococcus multilocularis rhodopsin orphan GPCR 0.0016 0.0002 0.0002
Giardia lamblia PHD finger protein 15 0.0065 0.0182 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0019 0.0049
Echinococcus multilocularis histone acetyltransferase MYST2 0.0059 0.0163 0.0163
Schistosoma mansoni tar DNA-binding protein 0.0072 0.0209 0.0604

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 344 nM BindingDB_Patents: Calcium Mobilization Assay. An aequorin-based luminescent assay for calcium mobilization was used to measure mobilization of intracellular Ca2+ (Bullock et al., Mol Pharmacol 65, 582-588, 2004). Chinese hamster ovary (CHO) cells stably expressing photoprotein aequorin and recombinant PKR1 or PKR2 were tested by this method. Briefly, the cells were charged in Opti-MEM (Invitrogen) containing 8 µM of coelenterazine cp at 37° C. for 2 hours. Cells were detached by brief typsinization and maintained in Hank's Balanced Salt Solution (HBSS) plus 10 mM HEPES (pH7.5) and 0.1% BSA at about 5×105 cells/ml. Luminescence measurements were made using a Berthold luminometer. ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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