Detailed information for compound 1415732

Basic information

Technical information
  • TDR Targets ID: 1415732
  • Name: 1-[(4-methylphenyl)methyl]-4-[4-(4-methylphen yl)piperazin-1-yl]pyrazolo[4,5-e]pyrimidine
  • MW: 398.503 | Formula: C24H26N6
  • H donors: 0 H acceptors: 3 LogP: 4.56 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)Cn1ncc2c1ncnc2N1CCN(CC1)c1ccc(cc1)C
  • InChi: 1S/C24H26N6/c1-18-3-7-20(8-4-18)16-30-24-22(15-27-30)23(25-17-26-24)29-13-11-28(12-14-29)21-9-5-19(2)6-10-21/h3-10,15,17H,11-14,16H2,1-2H3
  • InChiKey: OJTUEASMVVJXHR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[(4-methylphenyl)methyl]-4-[4-(4-methylphenyl)-1-piperazinyl]pyrazolo[4,5-e]pyrimidine
  • 1-(4-methylbenzyl)-4-[4-(4-methylphenyl)piperazin-1-yl]pyrazolo[4,5-e]pyrimidine
  • SMR000042503
  • MLS000077699
  • STOCK3S-83834
  • ZINC01473026

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens Niemann-Pick disease, type C1 Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
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
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Niemann-Pick C1 protein precursor Get druggable targets OG5_128206 All targets in OG5_128206
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07003 Niemann Pick type C1, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni niemann-pick C1 (NPC1) Get druggable targets OG5_128206 All targets in OG5_128206
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
Entamoeba histolytica Niemann-Pick C1 protein, putative Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
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
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) STE/STE20/TAO protein kinase 0.0186 0.6288 0.6288
Brugia malayi casein kinase 1, delta 0.008 0.2284 0.2284
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0019 0.0019
Entamoeba histolytica casein kinase 1, putative 0.008 0.2284 0.6078
Loa Loa (eye worm) hypothetical protein 0.0119 0.3758 0.3758
Onchocerca volvulus 0.0078 0.2232 0.3948
Echinococcus granulosus lamin 0.0033 0.0526 0.0526
Entamoeba histolytica hypothetical protein 0.0043 0.0933 0.2483
Echinococcus multilocularis Niemann Pick C1 protein 0.017 0.5669 0.5669
Trypanosoma cruzi casein kinase, putative 0.008 0.2284 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0019 0.0019
Echinococcus granulosus serine:threonine protein kinase TAO1 0.0186 0.6288 0.6288
Entamoeba histolytica hypothetical protein 0.0043 0.0933 0.2483
Brugia malayi Serine/threonine-protein kinase SULU 0.0186 0.6288 0.6288
Trypanosoma brucei casein kinase I, isoform 2 0.008 0.2284 1
Trichomonas vaginalis CK1 family protein kinase 0.008 0.2284 1
Echinococcus multilocularis protein dispatched 1 0.0058 0.1487 0.1487
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1375 0.2186
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0 0.5
Loa Loa (eye worm) CK1/CK1/CK1-A protein kinase 0.008 0.2284 0.2284
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0121 0.3827 0.6087
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1561 0.1561
Loa Loa (eye worm) hypothetical protein 0.0041 0.0847 0.0847
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0526 0.0526
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1487 0.1487
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0933 0.0933
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1375 0.2186
Brugia malayi hypothetical protein 0.0186 0.6288 0.6288
Trypanosoma cruzi casein kinase, putative 0.008 0.2284 1
Brugia malayi hypothetical protein 0.0043 0.0933 0.0933
Schistosoma mansoni serine/threonine protein kinase 0.008 0.2284 0.3633
Echinococcus multilocularis Niemann Pick C1 protein 0.0119 0.3758 0.3758
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1375 0.2186
Brugia malayi hypothetical protein 0.0148 0.4846 0.4846
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0051 0.1217 0.1217
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0526 0.0526
Echinococcus multilocularis casein kinase i 0.008 0.2284 0.2284
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1375 0.1375
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1375 0.1375
Schistosoma mansoni intermediate filament proteins 0.0033 0.0526 0.0836
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0019 0.0019
Onchocerca volvulus Huntingtin homolog 0.0148 0.4846 1
Echinococcus multilocularis lamin 0.0033 0.0526 0.0526
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0526 0.0526
Onchocerca volvulus 0.0058 0.1487 0.2226
Schistosoma mansoni hypothetical protein 0.0019 0.0019 0.0031
Trypanosoma cruzi casein kinase, delta isoform, putative 0.0078 0.2232 0.9769
Onchocerca volvulus Huntingtin homolog 0.0148 0.4846 1
Echinococcus granulosus expressed conserved protein 0.0112 0.3488 0.3488
Schistosoma mansoni lamin 0.0033 0.0526 0.0836
Toxoplasma gondii casein kinase I 0.008 0.2284 1
Loa Loa (eye worm) CK1/CK1/CK1-D protein kinase 0.008 0.2284 0.2284
Echinococcus granulosus lamin dm0 0.0033 0.0526 0.0526
Echinococcus granulosus casein kinase I alpha 0.008 0.2284 0.2284
Schistosoma mansoni hypothetical protein 0.0019 0.0019 0.0031
Echinococcus granulosus Niemann Pick C1 protein 0.017 0.5669 0.5669
Echinococcus granulosus sterol regulatory element binding protein 0.0051 0.1217 0.1217
Entamoeba histolytica hypothetical protein 0.0043 0.0933 0.2483
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1561 0.1561
Trypanosoma cruzi casein kinase, delta isoform, putative 0.008 0.2284 1
Schistosoma mansoni hypothetical protein 0.0049 0.1148 0.1826
Giardia lamblia Kinase, CK1 Casein kinase 0.008 0.2284 1
Schistosoma mansoni patched 1 0.0051 0.1217 0.1935
Loa Loa (eye worm) hypothetical protein 0.0051 0.1217 0.1217
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0019 0.0019
Echinococcus multilocularis serine:threonine protein kinase TAO1 0.0186 0.6288 0.6288
Echinococcus multilocularis casein kinase I delta 0.008 0.2284 0.2284
Entamoeba histolytica casein kinase, putative 0.008 0.2284 0.6078
Loa Loa (eye worm) hypothetical protein 0.0286 1 1
Echinococcus multilocularis expressed conserved protein 0.0112 0.3488 0.3488
Echinococcus multilocularis sterol regulatory element binding protein 0.0051 0.1217 0.1217
Echinococcus granulosus survival motor neuron protein 1 0.0286 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1375 0.1375
Loa Loa (eye worm) hypothetical protein 0.0032 0.0503 0.0503
Loa Loa (eye worm) hypothetical protein 0.0148 0.4846 0.4846
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0847 0.0847
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0119 0.3758 1
Echinococcus granulosus intermediate filament protein 0.0033 0.0526 0.0526
Echinococcus multilocularis casein kinase I delta 0.008 0.2284 0.2284
Loa Loa (eye worm) hypothetical protein 0.0019 0.0019 0.0019
Trichomonas vaginalis CK1 family protein kinase 0.008 0.2284 1
Schistosoma mansoni hypothetical protein 0.0049 0.1148 0.1826
Echinococcus granulosus casein kinase I delta 0.008 0.2284 0.2284
Schistosoma mansoni serine/threonine protein kinase 0.0186 0.6288 1
Echinococcus granulosus GPCR family 2 0.0019 0.0019 0.0019
Echinococcus multilocularis survival motor neuron protein 1 0.0286 1 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0526 0.0526
Brugia malayi Niemann-Pick C1 protein precursor 0.0119 0.3758 0.3758
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.1217 0.5327
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0019 0.0019
Trypanosoma cruzi casein kinase, putative 0.008 0.2284 1
Trichomonas vaginalis CK1 family protein kinase 0.008 0.2284 1
Schistosoma mansoni hypothetical protein 0.0049 0.1148 0.1826
Echinococcus multilocularis casein kinase I alpha 0.008 0.2284 0.2284
Plasmodium falciparum casein kinase 1 0.008 0.2284 1
Brugia malayi CHE-14 protein 0.0051 0.1217 0.1217
Echinococcus multilocularis lamin dm0 0.0033 0.0526 0.0526
Trypanosoma cruzi casein kinase, putative 0.008 0.2284 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1375 0.1375
Schistosoma mansoni hypothetical protein 0.0019 0.0019 0.0031
Schistosoma mansoni lamin 0.0033 0.0526 0.0836
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1375 0.1375
Entamoeba histolytica hypothetical protein 0.0043 0.0933 0.2483
Echinococcus granulosus casein kinase I delta 0.008 0.2284 0.2284
Echinococcus granulosus casein kinase I alpha 0.008 0.2284 0.2284
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1561 0.1561
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0019 0.0019
Echinococcus granulosus casein kinase I alpha 0.008 0.2284 0.2284
Echinococcus multilocularis protein patched 0.0051 0.1217 0.1217
Echinococcus multilocularis casein kinase I alpha 0.008 0.2284 0.2284
Leishmania major casein kinase, putative 0.008 0.2284 1
Echinococcus multilocularis casein kinase I alpha 0.008 0.2284 0.2284
Schistosoma mansoni hypothetical protein 0.0043 0.0933 0.1484
Loa Loa (eye worm) CK1/CK1/CK1-A protein kinase 0.008 0.2284 0.2284
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0933 0.1484
Schistosoma mansoni hypothetical protein 0.0058 0.1487 0.2365
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1375 0.1375
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0933 0.0933
Echinococcus multilocularis GPCR, family 2 0.0019 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0062 0.1647 0.1647
Schistosoma mansoni hypothetical protein 0.0049 0.1148 0.1826
Echinococcus granulosus Niemann Pick C1 protein 0.0119 0.3758 0.3758
Plasmodium vivax casein kinase 1, putative 0.008 0.2284 1
Brugia malayi intermediate filament protein 0.0033 0.0526 0.0526
Schistosoma mansoni hypothetical protein 0.0019 0.0019 0.0031
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0019 0.0019
Echinococcus multilocularis musashi 0.0033 0.0526 0.0526
Onchocerca volvulus 0.008 0.2284 0.407
Brugia malayi casein kinase I 0.008 0.2284 0.2284
Schistosoma mansoni survival motor neuron protein 0.0058 0.1487 0.2365
Schistosoma mansoni hypothetical protein 0.0041 0.0847 0.1347
Loa Loa (eye worm) hypothetical protein 0.006 0.1561 0.1561
Schistosoma mansoni protein kinase 0.008 0.2284 0.3633
Loa Loa (eye worm) hypothetical protein 0.0148 0.4846 0.4846
Echinococcus granulosus Protein patched homolog 1 0.0051 0.1217 0.1217
Echinococcus granulosus casein kinase i 0.008 0.2284 0.2284
Trypanosoma cruzi casein kinase, putative 0.008 0.2284 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 32 uM PUBCHEM_BIOASSAY: SAR Analysis of Selective Antagonists of GPR55 using an Image-Based Assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2058, AID2079] ChEMBL. No reference
Potency (functional) = 0.2239 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.6169 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) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.2213 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) 6.3096 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.9953 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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) 112.2018 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.
 
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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