Detailed information for compound 1325247

Basic information

Technical information
  • TDR Targets ID: 1325247
  • Name: 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)su lfanyl]-1-(1H-indol-3-yl)ethanone
  • MW: 342.803 | Formula: C16H11ClN4OS
  • H donors: 2 H acceptors: 3 LogP: 3.48 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1c[nH]c2c(c1)nc(n2)SCC(=O)c1c[nH]c2c1cccc2
  • InChi: 1S/C16H11ClN4OS/c17-9-5-13-15(19-6-9)21-16(20-13)23-8-14(22)11-7-18-12-4-2-1-3-10(11)12/h1-7,18H,8H2,(H,19,20,21)
  • InChiKey: HXQYVKHFEOUUJL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)thio]-1-(1H-indol-3-yl)ethanone
  • ZINC03410709
  • MLS001061347
  • SMR000385001
  • T5335356

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0093 0.0271
Echinococcus granulosus snurportin 1 0.0305 0.349 0.349
Trypanosoma brucei transcription factor BTF3, putative 0.007 0.0603 0.1764
Trypanosoma cruzi major cysteine proteinase, putative 0.0056 0.0429 0.1255
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0188 0.0188
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0093 0.0093
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0116 0.1176 0.3438
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0116 0.1176 0.2676
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0029 0.0101 0.023
Schistosoma mansoni survival motor neuron protein 0.0049 0.034 0.034
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0378 0.4393 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0141 0.1482 0.4335
Schistosoma mansoni transcription factor btf3 0.007 0.0603 0.0603
Onchocerca volvulus 0.0054 0.0412 0.0179
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0372 0.1087
Plasmodium vivax basic transcription factor 3b, putative 0.007 0.0603 1
Echinococcus granulosus lamin dm0 0.0054 0.0412 0.0412
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0065 0.0541 0.1581
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.0879 0.0879
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0182 0.0414
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0617 0.1803
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0182 0.0414
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0093 0.0271
Schistosoma mansoni hypothetical protein 0.0036 0.0188 0.0188
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0026 0.006
Trypanosoma cruzi transcription factor btf3, putative 0.007 0.0603 0.1764
Schistosoma mansoni lamin 0.0054 0.0412 0.0412
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0116 0.1176 0.2676
Echinococcus granulosus geminin 0.0171 0.1843 0.1843
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0378 0.4393 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.0616 0.0616
Trypanosoma cruzi cysteine peptidase, putative 0.0071 0.0617 0.1803
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.0616 0.1402
Onchocerca volvulus 0.0054 0.0412 0.0179
Schistosoma mansoni importin beta-1 0.0029 0.0093 0.0093
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0026 0.006
Trypanosoma cruzi cysteine peptidase, putative 0.0071 0.0617 0.1803
Entamoeba histolytica transcription factor BTF3, putative 0.007 0.0603 0.1373
Schistosoma mansoni hypothetical protein 0.0171 0.1843 0.1843
Trypanosoma cruzi cysteine peptidase, putative 0.0071 0.0617 0.1803
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0299 0.342 1
Echinococcus granulosus intermediate filament protein 0.0054 0.0412 0.0412
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0617 0.1803
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Brugia malayi MH2 domain containing protein 0.0121 0.123 0.28
Echinococcus multilocularis lysosomal alpha glucosidase 0.0161 0.1726 0.1726
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0617 0.1803
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0378 0.4393 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0617 0.1803
Loa Loa (eye worm) hypothetical protein 0.0025 0.0053 0.0121
Schistosoma mansoni jumonji domain containing protein 0.0071 0.0616 0.0616
Brugia malayi Intermediate filament tail domain containing protein 0.0054 0.0412 0.0938
Leishmania major hypothetical protein, conserved 0.0116 0.1176 0.3438
Echinococcus multilocularis lamin dm0 0.0054 0.0412 0.0412
Entamoeba histolytica hypothetical protein 0.0036 0.0188 0.0427
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0378 0.4393 1
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0182 0.0532
Plasmodium falciparum importin beta, putative 0.0029 0.0093 0.1537
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.0616 0.0616
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0182 0.0414
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0617 0.1803
Echinococcus granulosus transcription factor btf3 0.007 0.0603 0.0603
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0617 0.1803
Entamoeba histolytica hypothetical protein 0.0036 0.0188 0.0427
Loa Loa (eye worm) intermediate filament protein 0.0054 0.0412 0.0938
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0182 0.0414
Toxoplasma gondii NAC domain-containing protein 0.007 0.0603 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0879 0.0879
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0879 0.0879
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0141 0.1482 0.4335
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0259 0.0757
Trypanosoma cruzi hypothetical protein, conserved 0.0116 0.1176 0.3438
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0378 0.4393 1
Brugia malayi hypothetical protein 0.0238 0.2674 0.6087
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0182 0.0182
Schistosoma mansoni lamin 0.0054 0.0412 0.0412
Echinococcus multilocularis transcription factor btf3 0.007 0.0603 0.0603
Brugia malayi jmjC domain containing protein 0.0071 0.0616 0.1402
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0026 0.006
Loa Loa (eye worm) hypothetical protein 0.0245 0.2753 0.6266
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0182 0.0414
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.0182 0.0414
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0182 0.3014
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.0879 0.0879
Brugia malayi hypothetical protein 0.0036 0.0188 0.0427
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0182 0.0414
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0616 0.0616
Echinococcus granulosus survival motor neuron protein 1 0.0238 0.2674 0.2674
Schistosoma mansoni hypothetical protein 0.0034 0.0164 0.0164
Echinococcus multilocularis lamin 0.0054 0.0412 0.0412
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0378 0.4393 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0617 0.1803
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0617 0.1803
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0026 0.0065 0.0065
Echinococcus multilocularis geminin 0.0171 0.1843 0.1843
Loa Loa (eye worm) MH2 domain-containing protein 0.0121 0.123 0.28
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0817 0.9798 0.9798
Echinococcus multilocularis survival motor neuron protein 1 0.0238 0.2674 0.2674
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0378 0.4393 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0092 0.0879 0.2001
Toxoplasma gondii hypothetical protein 0.0048 0.0335 0.5549
Leishmania major basic transcription factor 3a, putative 0.007 0.0603 0.1764
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0305 0.349 0.7944
Echinococcus granulosus lamin 0.0054 0.0412 0.0412
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.0879 0.0879
Trichomonas vaginalis conserved hypothetical protein 0.007 0.0603 0.1373
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0261 0.2959 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0065 0.0148
Schistosoma mansoni hypothetical protein 0.0049 0.034 0.034
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.0182 0.0414
Trichomonas vaginalis conserved hypothetical protein 0.007 0.0603 0.1373
Loa Loa (eye worm) hypothetical protein 0.0025 0.0053 0.0121
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0299 0.342 1
Loa Loa (eye worm) ICD-1 protein 0.007 0.0603 0.1373
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0092 0.0879 0.2001
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0617 0.1803
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0093 0.1537
Echinococcus multilocularis lysosomal alpha glucosidase 0.0161 0.1726 0.1726
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0182 0.0414
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0378 0.4393 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0161 0.1726 0.3928
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.036 0.0819
Brugia malayi hypothetical protein 0.0245 0.2753 0.6266
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.036 0.0819
Echinococcus multilocularis musashi 0.0054 0.0412 0.0412
Echinococcus granulosus importin subunit beta 1 0.0029 0.0093 0.0093
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0054 0.0412 0.0938
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0026 0.0065 0.0065
Onchocerca volvulus 0.0378 0.4393 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0412 0.0938
Trypanosoma cruzi cruzipain precursor, putative 0.0071 0.0617 0.1803
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0188 0.0188
Schistosoma mansoni alpha-glucosidase 0.0139 0.1449 0.1449
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0378 0.4393 1
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0378 0.4393 1
Schistosoma mansoni alpha-glucosidase 0.0139 0.1449 0.1449
Loa Loa (eye worm) hypothetical protein 0.0053 0.04 0.091
Leishmania major mitochondrial DNA polymerase beta 0.0299 0.342 1
Brugia malayi beta-NAC-like protein 0.007 0.0603 0.1373
Trichomonas vaginalis conserved hypothetical protein 0.007 0.0603 0.1373
Loa Loa (eye worm) hypothetical protein 0.0238 0.2674 0.6087
Leishmania major importin beta-1 subunit, putative 0.0023 0.0026 0.0077
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0182 0.0182
Brugia malayi intermediate filament protein 0.0054 0.0412 0.0938
Loa Loa (eye worm) hypothetical protein 0.005 0.036 0.0819
Schistosoma mansoni alpha glucosidase 0.0036 0.0182 0.0182
Onchocerca volvulus 0.0093 0.0889 0.1355
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0617 0.1803
Trypanosoma cruzi hypothetical protein, conserved 0.0116 0.1176 0.3438
Schistosoma mansoni hypothetical protein 0.0305 0.349 0.349
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0378 0.4393 1
Loa Loa (eye worm) transcription factor SMAD2 0.0121 0.123 0.28
Trypanosoma brucei glucosidase, putative 0.0036 0.0182 0.0532
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0616 0.0616
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0042 0.0259 0.0757
Loa Loa (eye worm) hypothetical protein 0.0245 0.2753 0.6266
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0164 0.0374
Entamoeba histolytica hypothetical protein 0.007 0.0603 0.1373
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0141 0.1482 0.4335
Entamoeba histolytica hypothetical protein 0.0023 0.0026 0.006
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0182 0.0414
Echinococcus granulosus lysine specific demethylase 5A 0.0071 0.0616 0.0616
Brugia malayi cytoplasmic intermediate filament protein 0.0029 0.0101 0.023
Echinococcus granulosus lysosomal alpha glucosidase 0.0161 0.1726 0.1726
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0259 0.0757
Loa Loa (eye worm) hypothetical protein 0.0029 0.0093 0.0211
Schistosoma mansoni intermediate filament proteins 0.0054 0.0412 0.0412
Brugia malayi RNA, U transporter 1 0.0081 0.074 0.1685
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0026 0.0077
Brugia malayi Importin beta-1 subunit 0.0029 0.0093 0.0211
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0182 0.0414
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.0616 0.0616
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.036 0.0819
Schistosoma mansoni hypothetical protein 0.0171 0.1843 0.1843
Plasmodium falciparum basic transcription factor 3b, putative 0.007 0.0603 1
Echinococcus multilocularis snurportin 1 0.0305 0.349 0.349
Entamoeba histolytica hypothetical protein 0.0036 0.0188 0.0427
Entamoeba histolytica hypothetical protein 0.0036 0.0188 0.0427
Leishmania major cathepsin L-like protease 0.0071 0.0617 0.1803
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0182 0.0532
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0182 0.0414
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0378 0.4393 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0164 0.0374
Trypanosoma cruzi transcription factor btf3, putative 0.007 0.0603 0.1764
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0617 0.1803
Onchocerca volvulus Huntingtin homolog 0.0245 0.2753 0.5953
Leishmania major cathepsin L-like protease 0.0071 0.0617 0.1803
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0042 0.0259 0.0757
Onchocerca volvulus Huntingtin homolog 0.0245 0.2753 0.5953
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0161 0.1726 0.3928
Leishmania major cathepsin L-like protease 0.0071 0.0617 0.1803
Plasmodium vivax importin-beta 2, putative 0.0029 0.0093 0.1537
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.034 0.0773
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0182 0.0414
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0182 0.0532
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0299 0.342 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.0879 0.0879
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0188 0.0188
Brugia malayi jmjC domain containing protein 0.0071 0.0616 0.1402
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0879 0.0879

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.8526 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) = 2.8184 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 10 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 10.4179 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) = 15.8489 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 23.1093 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 67.4555 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 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
Homo sapiens 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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