Detailed information for compound 1312984

Basic information

Technical information
  • TDR Targets ID: 1312984
  • Name: 2-(2,4-dichlorophenyl)sulfanyl-1-(2,7-dimethy limidazo[3,2-a]pyridin-3-yl)ethanone
  • MW: 365.277 | Formula: C17H14Cl2N2OS
  • H donors: 0 H acceptors: 2 LogP: 6.04 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)Cl)SCC(=O)c1c(C)nc2n1ccc(c2)C
  • InChi: 1S/C17H14Cl2N2OS/c1-10-5-6-21-16(7-10)20-11(2)17(21)14(22)9-23-15-4-3-12(18)8-13(15)19/h3-8H,9H2,1-2H3
  • InChiKey: ZKOUCLNYJVRYAQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[(2,4-dichlorophenyl)thio]-1-(2,7-dimethyl-3-imidazo[3,2-a]pyridinyl)ethanone
  • 2-[(2,4-dichlorophenyl)thio]-1-(2,7-dimethylimidazo[3,2-a]pyridin-3-yl)ethanone
  • MLS000327234
  • SMR000179799
  • Oprea1_357730
  • 3R-1201
  • 2-[(2,4-dichlorophenyl)sulfanyl]-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1-ethanone
  • Bionet1_004497

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0696 0.0696
Echinococcus granulosus carbonic anhydrase II 0.0182 0.254 0.254
Echinococcus multilocularis carbonic anhydrase 0.0086 0.1064 0.1064
Schistosoma mansoni tyrosine kinase 0.005 0.0512 0.0512
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0182 0.254 0.4204
Echinococcus multilocularis raf serine:threonine protein kinase 0.0426 0.6269 0.6269
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.0037 0.0314 0.0519
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0301 0.4353 0.4353
Loa Loa (eye worm) RNA binding protein 0.0062 0.0696 0.112
Echinococcus multilocularis carbonic anhydrase 0.0086 0.1064 0.1064
Loa Loa (eye worm) TK/EGFR protein kinase 0.0149 0.2028 0.3264
Schistosoma mansoni isocitrate dehydrogenase 0.0037 0.0314 0.0314
Echinococcus granulosus isocitrate dehydrogenase NAD 0.0037 0.0314 0.0314
Echinococcus granulosus insulin receptor 0.005 0.0512 0.0512
Echinococcus multilocularis epidermal growth factor receptor 0.0081 0.0997 0.0997
Echinococcus multilocularis 0.0045 0.0445 0.0445
Echinococcus multilocularis carbonic anhydrase II 0.0182 0.254 0.254
Mycobacterium leprae PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH) 0.0037 0.0314 0.5
Schistosoma mansoni carbonic anhydrase-related 0.0086 0.1064 0.1064
Echinococcus granulosus epidermal growth factor receptor 0.0149 0.2028 0.2028
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0301 0.4353 0.4353
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0301 0.4353 0.4353
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0081 0.0997 0.0997
Loa Loa (eye worm) hypothetical protein 0.0086 0.1064 0.1712
Schistosoma mansoni tyrosine kinase 0.0078 0.094 0.094
Echinococcus multilocularis isocitrate dehydrogenase 0.0301 0.4353 0.4353
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0465 0.0748
Brugia malayi TAR-binding protein 0.0062 0.0696 0.1151
Echinococcus granulosus tar DNA binding protein 0.0062 0.0696 0.0696
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.0037 0.0314 0.0505
Echinococcus granulosus carbonic anhydrase 0.0086 0.1064 0.1064
Echinococcus multilocularis microtubule associated protein 2 0.0671 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0465 0.0465
Loa Loa (eye worm) hypothetical protein 0.0051 0.0529 0.0851
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0696 0.0696
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0301 0.4353 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0301 0.4353 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0465 0.0465
Echinococcus multilocularis insulin receptor 0.005 0.0512 0.0512
Loa Loa (eye worm) hypothetical protein 0.0086 0.1064 0.1712
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0151 0.2059 0.3314
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0301 0.4353 0.4353
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0465 0.0465
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0182 0.254 0.254
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0301 0.4353 1
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0696 0.1151
Brugia malayi hypothetical protein 0.0153 0.21 0.3475
Toxoplasma gondii isocitrate dehydrogenase 0.0301 0.4353 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0301 0.4353 0.4353
Trichomonas vaginalis isocitrate dehydrogenase, putative 0.0037 0.0314 0.5
Schistosoma mansoni carbonic anhydrase-related 0.0086 0.1064 0.1064
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0696 0.0696
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.0037 0.0314 0.0314
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0086 0.1064 0.1712
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0465 0.0465
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0301 0.4353 1
Loa Loa (eye worm) TK/INSR protein kinase 0.005 0.0512 0.0824
Brugia malayi Probable isocitrate dehydrogenase 0.0037 0.0314 0.0519
Schistosoma mansoni microtubule-associated protein tau 0.0671 1 1
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.0037 0.0314 0.0314
Echinococcus granulosus raf serine:threonine protein kinase 0.0426 0.6269 0.6269
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.0037 0.0314 0.0519
Loa Loa (eye worm) hypothetical protein 0.0086 0.1064 0.1712
Schistosoma mansoni unc-13 (munc13) 0.0051 0.054 0.054
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.0037 0.0314 0.0314
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0086 0.1064 0.176
Loa Loa (eye worm) isocitrate dehydrogenase 0.0301 0.4353 0.7007
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0284 0.047
Brugia malayi Immunoglobulin I-set domain containing protein 0.0151 0.2059 0.3407
Onchocerca volvulus Tyrosine kinase homolog 0.0141 0.191 0.3273
Brugia malayi RNA binding protein 0.0062 0.0696 0.1151
Loa Loa (eye worm) hypothetical protein 0.0037 0.0314 0.0505
Mycobacterium ulcerans 3-isopropylmalate dehydrogenase 0.0037 0.0314 0.5
Loa Loa (eye worm) TKL/RAF/RAF protein kinase 0.0243 0.3459 0.5569
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0465 0.0465
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0696 0.112
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0086 0.1064 0.176
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0529 0.0875
Brugia malayi Isocitrate dehydrogenase 0.0301 0.4353 0.7204
Schistosoma mansoni tyrosine kinase 0.005 0.0512 0.0512
Schistosoma mansoni hypothetical protein 0.0086 0.1064 0.1064
Echinococcus granulosus carbonic anhydrase 0.0086 0.1064 0.1064
Brugia malayi Protein kinase domain containing protein 0.005 0.0512 0.0847
Leishmania major carbonic anhydrase-like protein 0.0182 0.254 0.5513
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0301 0.4353 0.5
Echinococcus granulosus insulin growth factor 1 receptor beta 0.005 0.0512 0.0512
Loa Loa (eye worm) hypothetical protein 0.0035 0.0284 0.0457
Echinococcus multilocularis carbonic anhydrase 0.0086 0.1064 0.1064
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0086 0.1064 0.176
Schistosoma mansoni carbonic anhydrase 0.0086 0.1064 0.1064
Echinococcus multilocularis epidermal growth factor receptor 0.0149 0.2028 0.2028
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0086 0.1064 0.176
Schistosoma mansoni tyrosine kinase 0.0078 0.094 0.094
Schistosoma mansoni tyrosine kinase 0.0078 0.094 0.094
Schistosoma mansoni serine/threonine protein kinase 0.0426 0.6269 0.6269
Toxoplasma gondii isocitrate dehydrogenase 0.0301 0.4353 1
Schistosoma mansoni tyrosine kinase 0.0081 0.0997 0.0997
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0182 0.254 0.4204
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0301 0.4353 1
Brugia malayi Probable isocitrate dehydrogenase 0.0037 0.0314 0.0519
Schistosoma mansoni tyrosine kinase 0.0081 0.0997 0.0997
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0182 0.254 0.409
Echinococcus granulosus epidermal growth factor receptor 0.0081 0.0997 0.0997
Wolbachia endosymbiont of Brugia malayi isocitrate dehydrogenase 0.0037 0.0314 0.5
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0301 0.4353 1
Loa Loa (eye worm) carbonic anhydrase 3 0.0182 0.254 0.409
Schistosoma mansoni carbonic anhydrase-related 0.0086 0.1064 0.1064
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0696 0.0696
Onchocerca volvulus 0.0153 0.21 1
Entamoeba histolytica tartrate dehydrogenase, putative 0.0037 0.0314 0.5
Brugia malayi Raf kinase 0.0412 0.6043 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0301 0.4353 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0086 0.1064 0.176
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0465 0.0769
Brugia malayi isocitrate dehydrogenase 0.0301 0.4353 0.7204
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.005 0.0512 0.0512
Echinococcus granulosus carbonic anhydrase 0.0086 0.1064 0.1064
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0696 0.112
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0696 0.0696
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0182 0.254 0.254
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.0037 0.0314 0.0314
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0301 0.4353 0.4353
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0465 0.0465
Brugia malayi Furin-like cysteine rich region family protein 0.0149 0.2028 0.3356
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0529 0.0875
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0465 0.0465
Schistosoma mansoni hypothetical protein 0.0035 0.0284 0.0284
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.0037 0.0314 0.0519
Loa Loa (eye worm) hypothetical protein 0.0153 0.21 0.338
Schistosoma mansoni tyrosine kinase 0.0149 0.2028 0.2028
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0529 0.0851
Loa Loa (eye worm) raf kinase 0.0423 0.6212 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0696 0.0696

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 200 uM PUBCHEM_BIOASSAY: uHTS identification of small molecule antagonists of the binding of Siah-1 and a peptide ligand via a fluorescence polarization assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1826, AID2127, AID2141] ChEMBL. No reference
IC50 (binding) > 200 uM PUBCHEM_BIOASSAY: HTS TR-FRET-based dose response confirmatory assay for Siah-1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1817, AID1826] ChEMBL. No reference
IC50 (binding) > 200 uM PUBCHEM_BIOASSAY: HTS fluorescence polarization-based dose response confirmatory screen for the Siah-1 primary assay utilizing an alternative fluorophore, fluorescein-labeled plectin. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1817, AID1826] ChEMBL. No reference
Potency (functional) 9.285 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) 18.526 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

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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