Detailed information for compound 1282739

Basic information

Technical information
  • TDR Targets ID: 1282739
  • Name: 1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphe nyl)methyl]-4-methylpiperidine hydrochloride
  • MW: 391.938 | Formula: C20H30ClN5O
  • H donors: 0 H acceptors: 3 LogP: 4.36 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(c1nnnn1C1CCCC1)N1CCC(CC1)C.Cl
  • InChi: 1S/C20H29N5O.ClH/c1-15-11-13-24(14-12-15)19(16-7-9-18(26-2)10-8-16)20-21-22-23-25(20)17-5-3-4-6-17;/h7-10,15,17,19H,3-6,11-14H2,1-2H3;1H
  • InChiKey: RGMHOHKYNTYALI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methyl-piperidine hydrochloride
  • 1-[(1-cyclopentyl-5-tetrazolyl)-(4-methoxyphenyl)methyl]-4-methylpiperidine hydrochloride
  • 1-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methyl-piperidine hydrochloride
  • 1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(4-methoxy-phenyl)-methyl]-4-methyl-piperidine
  • MLS000072573
  • SMR000004456

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis PIKK family atypical protein kinase 0.089 0.1618 0.7606
Schistosoma mansoni hypothetical protein 0.0388 0.041 0.1138
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0743 0.1262 0.3503
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0502 0.0684 0.0695
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.089 0.1618 0.6526
Trichomonas vaginalis PIKK family atypical protein kinase 0.089 0.1618 0.7606
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.089 0.1618 0.3671
Trichomonas vaginalis PIKK family atypical protein kinase 0.0502 0.0684 0.2329
Trichomonas vaginalis PIKK family atypical protein kinase 0.089 0.1618 0.7606
Trichomonas vaginalis PIKK family atypical protein kinase 0.089 0.1618 0.7606
Trichomonas vaginalis PIKK family atypical protein kinase 0.089 0.1618 0.7606
Toxoplasma gondii FATC domain-containing protein 0.0743 0.1262 0.5528
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.089 0.1618 0.449
Trichomonas vaginalis PIKK family atypical protein kinase 0.089 0.1618 0.7606
Trichomonas vaginalis PIKK family atypical protein kinase 0.089 0.1618 0.7606
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1716 0.3604 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.089 0.1618 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1067 0.2042 1
Echinococcus granulosus serine protein kinase ATM 0.0743 0.1262 0.1262
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.089 0.1618 1
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0678 0.1108 0.4536
Brugia malayi FAT domain containing protein 0.0388 0.041 0.0132
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0734 0.1242 0.2579
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.1716 0.3604 1
Trypanosoma cruzi target of rapamycin kinase 3 0.089 0.1618 0.3671
Trichomonas vaginalis PIKK family atypical protein kinase 0.089 0.1618 0.7606
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1067 0.2042 0.524
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1067 0.2042 1
Trypanosoma cruzi hypothetical protein, conserved 0.149 0.3061 0.8269
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.1716 0.3604 0.3604
Echinococcus multilocularis serine protein kinase ATM 0.0743 0.1262 0.1262
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0502 0.0684 0.0684
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.089 0.1618 0.6526
Trichomonas vaginalis PIKK family atypical protein kinase 0.089 0.1618 0.7606
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0734 0.1242 0.1242
Loa Loa (eye worm) hypothetical protein 0.0502 0.0684 0.3352
Trichomonas vaginalis PIKK family atypical protein kinase 0.089 0.1618 0.7606
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.089 0.1618 0.6526
Loa Loa (eye worm) hypothetical protein 0.0571 0.085 0.4164
Trichomonas vaginalis PIKK family atypical protein kinase 0.089 0.1618 0.7606
Trichomonas vaginalis PIKK family atypical protein kinase 0.089 0.1618 0.7606
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0502 0.0684 0.0979
Trichomonas vaginalis PIKK family atypical protein kinase 0.089 0.1618 0.7606
Trichomonas vaginalis PIKK family atypical protein kinase 0.0502 0.0684 0.2329
Trichomonas vaginalis PIKK family atypical protein kinase 0.089 0.1618 0.7606
Trichomonas vaginalis PIKK family atypical protein kinase 0.0678 0.1108 0.4723
Trichomonas vaginalis PIKK family atypical protein kinase 0.089 0.1618 0.7606
Echinococcus multilocularis sodium channel protein 0.0734 0.1242 0.1242
Trichomonas vaginalis PIKK family atypical protein kinase 0.089 0.1618 0.7606
Trichomonas vaginalis conserved hypothetical protein 0.0388 0.041 0.078
Trichomonas vaginalis PIKK family atypical protein kinase 0.089 0.1618 0.7606
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1716 0.3604 1
Loa Loa (eye worm) hypothetical protein 0.056 0.0822 0.4027
Loa Loa (eye worm) phosphatidylinositol 3 0.089 0.1618 0.7925
Trichomonas vaginalis PIKK family atypical protein kinase 0.0502 0.0684 0.2329
Trichomonas vaginalis PIKK family atypical protein kinase 0.089 0.1618 0.7606
Loa Loa (eye worm) follicle stimulating hormone receptor 0.037 0.0368 0.18
Trichomonas vaginalis PIKK family atypical protein kinase 0.089 0.1618 0.7606
Trichomonas vaginalis PIKK family atypical protein kinase 0.089 0.1618 0.7606
Trichomonas vaginalis conserved hypothetical protein 0.056 0.0822 0.3108
Echinococcus multilocularis neuropeptide receptor A26 0.0648 0.1036 0.1036
Schistosoma mansoni fkbp-rapamycin associated protein 0.0502 0.0684 0.1899
Trichomonas vaginalis PIKK family atypical protein kinase 0.089 0.1618 0.7606
Trichomonas vaginalis PIKK family atypical protein kinase 0.0502 0.0684 0.2329
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.089 0.1618 0.1618
Trichomonas vaginalis PIKK family atypical protein kinase 0.089 0.1618 0.7606
Leishmania major hypothetical protein, conserved 0.1661 0.3473 1
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0502 0.0684 0.0684
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0388 0.041 0.041
Trichomonas vaginalis PIKK family atypical protein kinase 0.089 0.1618 0.7606
Giardia lamblia GTOR 0.089 0.1618 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.089 0.1618 0.7606
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0743 0.1262 0.3608
Trichomonas vaginalis PIKK family atypical protein kinase 0.089 0.1618 0.7606
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.089 0.1618 0.1618
Echinococcus granulosus neuropeptide s receptor 0.0648 0.1036 0.1036
Toxoplasma gondii target of rapamycin (TOR), putative 0.089 0.1618 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.056 0.0822 0.3108
Loa Loa (eye worm) hypothetical protein 0.0388 0.041 0.2009
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.089 0.1618 0.3671
Trypanosoma brucei target of rapamycin kinase 3, putative 0.089 0.1618 0.6526
Trichomonas vaginalis PIKK family atypical protein kinase 0.089 0.1618 0.7606
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.089 0.1618 0.3831
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1716 0.3604 1
Echinococcus multilocularis neuropeptide s receptor 0.0648 0.1036 0.1036
Trichomonas vaginalis PIKK family atypical protein kinase 0.089 0.1618 0.7606
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.089 0.1618 0.3865
Trichomonas vaginalis PIKK family atypical protein kinase 0.0502 0.0684 0.2329
Echinococcus granulosus sodium channel protein 0.0734 0.1242 0.1242
Trichomonas vaginalis PIKK family atypical protein kinase 0.0743 0.1262 0.5595
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.4375 1 1
Entamoeba histolytica hypothetical protein 0.0743 0.1262 0.6189
Leishmania major phosphatidylinositol 3-kinase, putative 0.089 0.1618 0.3831
Trichomonas vaginalis PIKK family atypical protein kinase 0.0502 0.0684 0.2329
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.089 0.1618 0.3831
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0743 0.1262 0.2765
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.1716 0.3604 0.3604
Echinococcus granulosus neuropeptide receptor A26 0.0648 0.1036 0.1036
Trichomonas vaginalis PIKK family atypical protein kinase 0.089 0.1618 0.7606
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0388 0.041 0.041
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.089 0.1618 0.3831
Loa Loa (eye worm) phosphatidylinositol 3 0.1067 0.2042 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0743 0.1262 0.2537
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0571 0.085 0.1223

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0631 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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 Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 100 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.