Detailed information for compound 1334388

Basic information

Technical information
  • TDR Targets ID: 1334388
  • Name: 2-phenyl-4-piperidin-1-ylquinoline
  • MW: 288.386 | Formula: C20H20N2
  • H donors: 0 H acceptors: 1 LogP: 4.82 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1CCN(CC1)c1cc(nc2c1cccc2)c1ccccc1
  • InChi: 1S/C20H20N2/c1-3-9-16(10-4-1)19-15-20(22-13-7-2-8-14-22)17-11-5-6-12-18(17)21-19/h1,3-6,9-12,15H,2,7-8,13-14H2
  • InChiKey: HYCVPCISSSUCAZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-phenyl-4-(1-piperidyl)quinoline
  • 2-phenyl-4-piperidino-quinoline
  • 2-phenyl-4-piperidin-1-yl-quinoline
  • SMR000307321
  • A3496/0148241
  • MLS000729043

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens acid phosphatase 1, soluble Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Sus scrofa Calpain 2 Starlite/ChEMBL No references
Homo sapiens Rap guanine nucleotide exchange factor (GEF) 4 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans 3' exon of potential Low molecular weight phosphoTyrosine Phosphatase gene Get druggable targets OG5_127571 All targets in OG5_127571
Brugia malayi N-terminal motif family protein Get druggable targets OG5_131726 All targets in OG5_131726
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Calpain-1 catalytic subunit, putative Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog Get druggable targets OG5_131726 All targets in OG5_131726
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein Get druggable targets OG5_127571 All targets in OG5_127571
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis calpain A Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Onchocerca volvulus Get druggable targets OG5_127139 All targets in OG5_127139
Brugia malayi calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma japonicum Calpain-A, putative Get druggable targets OG5_127139 All targets in OG5_127139
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Schistosoma japonicum ko:K08585 calpain, invertebrate, putative Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) phosphotyrosine protein phosphatase Get druggable targets OG5_127571 All targets in OG5_127571
Candida albicans C terminus of potential Low molecular weight phosphoTyrosine Phosphatase Get druggable targets OG5_127571 All targets in OG5_127571
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131726 All targets in OG5_131726
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Onchocerca volvulus Get druggable targets OG5_127571 All targets in OG5_127571
Echinococcus granulosus calpain A Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus multilocularis calpain family protein 1, d Get druggable targets OG5_127139 All targets in OG5_127139
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA Get druggable targets OG5_127571 All targets in OG5_127571
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Echinococcus granulosus family C2 unassigned peptidase C02 family Get druggable targets OG5_127139 All targets in OG5_127139
Entamoeba histolytica protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Entamoeba histolytica protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase Get druggable targets OG5_127571 All targets in OG5_127571
Loa Loa (eye worm) calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) Get druggable targets OG5_127571 All targets in OG5_127571
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis calpain Calpain 2   324 aa 320 aa 31.9 %
Echinococcus granulosus calpain Calpain 2   324 aa 322 aa 31.7 %
Mycobacterium tuberculosis Probable acyl-[acyl-carrier protein] desaturase DesA1 (acyl-[ACP] desaturase) (stearoyl-ACP desaturase) (protein Des) acid phosphatase 1, soluble 112 aa 107 aa 24.3 %
Plasmodium vivax hypothetical protein, conserved Calpain 2   324 aa 277 aa 19.9 %
Schistosoma mansoni calpain C (C02 family) Calpain 2   324 aa 319 aa 27.3 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Echinococcus multilocularis hypothetical protein Calpain 2   324 aa 297 aa 27.9 %
Schistosoma japonicum Calpain-9, putative Calpain 2   324 aa 275 aa 27.6 %
Schistosoma mansoni calpain (C02 family) Calpain 2   324 aa 318 aa 24.2 %
Echinococcus granulosus calpain A Calpain 2   324 aa 297 aa 27.6 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.0152 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0141 0.0169
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0141 0.0141
Echinococcus multilocularis calpain 5 0.0023 0.0192 0.0192
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.002 0.0152 0.5
Echinococcus granulosus calpain 0.0023 0.0192 0.0229
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.0026 0.0031
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0056 0.0209
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0056 0.0056
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0023 0.0192 0.2501
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0056 0.0067
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0152 0.0561
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0056 0.0067
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0056 0.0056
Echinococcus multilocularis regulator of G protein signaling 7 0.0011 0.0038 0.0038
Echinococcus granulosus bloom syndrome protein 0.002 0.0152 0.0181
Loa Loa (eye worm) hypothetical protein 0.0012 0.0056 0.0209
Brugia malayi N-terminal motif family protein 0.0218 0.2608 0.9639
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0056 0.0209
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0056 0.0056
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.0152 0.0561
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0056 0.0067
Echinococcus multilocularis calpain family protein 1, d 0.0055 0.0583 0.0583
Loa Loa (eye worm) hypothetical protein 0.0041 0.0415 0.1535
Schistosoma mansoni hypothetical protein 0.0019 0.0141 0.0169
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0226 0.2706 1
Echinococcus multilocularis calpain 0.0023 0.0192 0.0192
Loa Loa (eye worm) hypothetical protein 0.0055 0.0583 0.2154
Loa Loa (eye worm) hypothetical protein 0.0011 0.0038 0.0141
Loa Loa (eye worm) hypothetical protein 0.0011 0.0038 0.0141
Echinococcus granulosus segment polarity protein dishevelled 0.0011 0.0038 0.0046
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0226 0.2706 1
Trypanosoma cruzi kinesin, putative 0.0023 0.0192 0.2501
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0023 0.0192 0.2501
Loa Loa (eye worm) hypothetical protein 0.0055 0.0583 0.2154
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0056 0.0067
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0152 0.1976
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0023 0.0192 0.0654
Schistosoma mansoni dishevelled 0.0011 0.0038 0.0046
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.059 0.0704
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 0.0152 0.0152
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.0031 0.0037
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0056 0.0056
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0226 0.2706 1
Loa Loa (eye worm) DIX domain-containing protein 0.0011 0.0038 0.0141
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.001 0.0031 0.0402
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0056 0.0209
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0023 0.0192 0.2501
Echinococcus granulosus Pleckstrin G protein interacting region 0.0011 0.0038 0.0046
Loa Loa (eye worm) hypothetical protein 0.0012 0.0056 0.0209
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0056 0.0056
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.059 0.059
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.007 0.0769 1
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0226 0.2706 0.5
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0152 0.0561
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0023 0.0192 0.2501
Trypanosoma brucei antigen, putative 0.0023 0.0192 0.0654
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0023 0.0192 0.2501
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0056 0.0209
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0056 0.0067
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0011 0.0038 0.0141
Echinococcus multilocularis bloom syndrome protein 0.002 0.0152 0.0152
Plasmodium vivax calpain, putative 0.0023 0.0192 1
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.0769 1
Brugia malayi calpain 7 0.0023 0.0192 0.071
Trypanosoma brucei calpain-like protein, putative 0.0023 0.0192 0.0654
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0023 0.0192 0.2501
Schistosoma mansoni microtubule-associated protein tau 0.0684 0.8386 1
Echinococcus granulosus calpain A 0.0082 0.0919 0.1096
Echinococcus multilocularis GPCR, family 2 0.0019 0.0141 0.0141
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.059 0.0704
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0056 0.0209
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 0.0152 0.0152
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0056 0.0067
Trypanosoma brucei calpain-like protein, putative 0.0023 0.0192 0.0654
Echinococcus multilocularis calpain 7 (C02 family) 0.0023 0.0192 0.0192
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0056 0.0067
Loa Loa (eye worm) hypothetical protein 0.0078 0.087 0.3214
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0056 0.0056
Onchocerca volvulus 0.0012 0.0056 0.0209
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0056 0.0209
Entamoeba histolytica protein kinase, putative 0.0023 0.0192 0.071
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0023 0.0192 0.0654
Loa Loa (eye worm) hypothetical protein 0.002 0.0152 0.0561
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0056 0.0067
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0023 0.0192 0.0654
Schistosoma mansoni DNA helicase recq5 0.002 0.0152 0.0181
Brugia malayi ecdysteroid receptor 0.0012 0.0056 0.0209
Schistosoma mansoni calpain C (C02 family) 0.0023 0.0192 0.0229
Echinococcus granulosus calpain 7 C02 family 0.0023 0.0192 0.0229
Echinococcus multilocularis segment polarity protein dishevelled 0.0011 0.0038 0.0038
Entamoeba histolytica calpain large subunit domain III containing protein 0.0023 0.0192 0.071
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.059 0.0704
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0056 0.0209
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.059 0.2181
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0078 0.087 0.1037
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0226 0.2706 1
Schistosoma mansoni z-protein (S1r protein) 0.0011 0.0038 0.0046
Onchocerca volvulus 0.0055 0.0583 0.2154
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.0769 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0056 0.0209
Brugia malayi regulator of G-protein signaling egl-10 0.0011 0.0038 0.0141
Leishmania major hypothetical protein, conserved 0.007 0.0769 1
Echinococcus multilocularis microtubule associated protein 2 0.0684 0.8386 0.8386
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0056 0.0067
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0226 0.2706 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0056 0.0209
Echinococcus granulosus calpain A 0.0023 0.0192 0.0229
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0056 0.0209
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0056 0.0209
Brugia malayi calpain 5 0.0023 0.0192 0.071
Toxoplasma gondii hypothetical protein 0.0011 0.0038 0.096
Loa Loa (eye worm) hypothetical protein 0.0078 0.087 0.3214
Brugia malayi steroid hormone receptor 0.0012 0.0056 0.0209
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.0152 0.0561
Brugia malayi nuclear receptor NHR-88 0.0012 0.0056 0.0209
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0023 0.0192 0.2501
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0226 0.2706 1
Brugia malayi hypothetical protein 0.0011 0.0038 0.0141
Leishmania major kinesin, putative 0.0023 0.0192 0.0654
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0056 0.0067
Brugia malayi hypothetical protein 0.0011 0.0038 0.0141
Echinococcus granulosus regulator of G protein signaling 7 0.0011 0.0038 0.0046
Trypanosoma brucei kinesin, putative 0.0023 0.0192 0.0654
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0226 0.2706 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0652 0.2408
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0056 0.0209
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0056 0.0056
Brugia malayi calpain family protein 1 0.0078 0.087 0.3214
Schistosoma mansoni hypothetical protein 0.0019 0.0141 0.0169
Loa Loa (eye worm) hypothetical protein 0.006 0.0652 0.2408
Loa Loa (eye worm) calpain 5 0.0023 0.0192 0.071
Loa Loa (eye worm) hypothetical protein 0.0218 0.2608 0.9639
Echinococcus multilocularis regulator of G protein signaling 7 0.0011 0.0038 0.0038
Schistosoma mansoni hypothetical protein 0.0041 0.0415 0.0495
Echinococcus granulosus GPCR family 2 0.0019 0.0141 0.0169
Loa Loa (eye worm) hypothetical protein 0.001 0.0031 0.0114
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0056 0.0067
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0141 0.0522
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0056 0.0056
Loa Loa (eye worm) RecQ helicase 0.002 0.0152 0.0561
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0082 0.0919 0.1096
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0056 0.0067
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 0.0152 0.0181
Schistosoma mansoni dishevelled 0.0011 0.0038 0.0046
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0082 0.0919 0.1096
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0152 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0056 0.0067
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0056 0.0067
Schistosoma mansoni calpain-7 (C02 family) 0.0023 0.0192 0.0229
Echinococcus multilocularis calpain A 0.0082 0.0919 0.0919
Loa Loa (eye worm) hypothetical protein 0.0019 0.0141 0.0522
Brugia malayi Bloom's syndrome protein homolog 0.002 0.0152 0.0561
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0152 1
Treponema pallidum ATP-dependent DNA helicase 0.001 0.0031 0.5
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.007 0.0769 0.284
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0056 0.0209
Loa Loa (eye worm) hypothetical protein 0.0012 0.0056 0.0209
Trichomonas vaginalis DNA helicase recq1, putative 0.002 0.0152 0.0561
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0141 0.0522
Entamoeba histolytica recQ family DNA helicase 0.001 0.0031 0.0114
Loa Loa (eye worm) hypothetical protein 0.0011 0.0038 0.0141
Schistosoma mansoni regulator of G protein signaling 0.0011 0.0038 0.0046
Loa Loa (eye worm) hypothetical protein 0.0012 0.0056 0.0209
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0415 0.1535
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.0152 0.0561
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0056 0.0067
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0056 0.0067
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0226 0.2706 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0141 0.0141
Schistosoma mansoni hypothetical protein 0.0019 0.0141 0.0169
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0141 0.0522
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0023 0.0192 0.2501
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0056 0.0209
Onchocerca volvulus 0.0011 0.0038 0.0141
Echinococcus granulosus microtubule associated protein 2 0.0684 0.8386 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.059 0.0704
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0011 0.0038 0.0141
Onchocerca volvulus 0.0226 0.2706 1
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0011 0.0038 0.0038
Echinococcus granulosus regulator of G protein signaling 7 0.0011 0.0038 0.0046
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0226 0.2706 1
Loa Loa (eye worm) calpain family protein 1 0.0055 0.0583 0.2154
Loa Loa (eye worm) hypothetical protein 0.0012 0.0056 0.0209
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0011 0.0038 0.0141
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0652 0.2408
Echinococcus granulosus segment polarity protein dishevelled 0.0011 0.0038 0.0046
Schistosoma mansoni dep domain containing protein 0.0011 0.0038 0.0046
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0056 0.0209
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0056 0.0067
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0056 0.0209
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0056 0.0067
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0011 0.0038 0.0141
Schistosoma mansoni Mername-AA248 (C02 family) 0.0023 0.0192 0.0229
Schistosoma mansoni DNA helicase recq1 0.002 0.0152 0.0181
Schistosoma mansoni coup transcription factor 0.0012 0.0056 0.0067
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0056 0.0209
Schistosoma mansoni hypothetical protein 0.0019 0.0141 0.0169
Trypanosoma brucei calpain-like protein, putative 0.0023 0.0192 0.0654
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0156 0.1843 0.5
Entamoeba histolytica recQ family helicase, putative 0.002 0.0152 0.0561
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0056 0.0209
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.007 0.0769 0.284
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0226 0.2706 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0218 0.2608 0.9639
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.059 0.0704
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0023 0.0192 0.0654
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0056 0.0209
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0023 0.0192 0.0654
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.059 0.059
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0056 0.0209
Loa Loa (eye worm) calpain family protein 1 0.0078 0.087 0.3214
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.059 0.2181
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0056 0.0209
Echinococcus multilocularis hypothetical protein 0.0023 0.0192 0.0192
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0056 0.0209
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0056 0.0209
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0023 0.0192 0.2501
Loa Loa (eye worm) hypothetical protein 0.001 0.0031 0.0114
Loa Loa (eye worm) calpain 0.0023 0.0192 0.071
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0082 0.0919 0.0919
Entamoeba histolytica recQ family helicase, putative 0.001 0.0026 0.0097
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0056 0.0209
Brugia malayi calpain family protein 1 0.0078 0.087 0.3214
Trypanosoma brucei calpain-like protein, putative 0.0023 0.0192 0.0654
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0652 0.2408
Schistosoma mansoni calpain (C02 family) 0.0023 0.0192 0.0229
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0031 0.0381
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0056 0.0067
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0056 0.0067
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0056 0.0209
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0056 0.0209
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0082 0.0919 0.1096
Echinococcus granulosus calpain 5 0.0023 0.0192 0.0229
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0141 0.0169
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0023 0.0192 0.2501
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0056 0.0209
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.001 0.0031 0.0402
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0056 0.0067
Echinococcus multilocularis segment polarity protein dishevelled 0.0011 0.0038 0.0038
Schistosoma mansoni calpain-7 (C02 family) 0.0023 0.0192 0.0229
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0056 0.0056
Trypanosoma cruzi kinesin, putative 0.0023 0.0192 0.2501
Brugia malayi DIX domain containing protein 0.0011 0.0038 0.0141
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0056 0.0209
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0011 0.0038 0.0046
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0226 0.2706 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0056 0.0209
Brugia malayi nuclear hormone receptor 0.0012 0.0056 0.0209
Loa Loa (eye worm) hypothetical protein 0.0012 0.0056 0.0209
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 0.0152 0.0181
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.001 0.0031 0.0288

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 3.918109725 um PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of assay: confirmatory) [Related pubchem assays: 1236 (Primary screen preceding this confirmatory assay.)] ChEMBL. No reference
IC50 (functional) 9.25 uM PubChem BioAssay. Dose response confirmation of small molecule inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase, LMPTP, via a fluorescence intensity assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 14 uM PubChem BioAssay. Dose response confirmation of small molecule inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase, LMPTP, in an orthogonal absorbance-based assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 80 uM PubChem BioAssay. Dose response confirmation of small molecule inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase, LMPTP, in a fluorescence-based, Lymphoid Phosphatase (PTPN22, LYP-1) selectivity Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 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) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.7157 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 56.2341 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
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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