Detailed information for compound 317912

Basic information

Technical information
  • TDR Targets ID: 317912
  • Name: (2,6-dichlorophenyl)-[2-(3-methylsulfanylanil ino)imidazo[1,2-a]pyridin-6-yl]methanone
  • MW: 428.334 | Formula: C21H15Cl2N3OS
  • H donors: 1 H acceptors: 2 LogP: 6.75 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1cccc(c1)Nc1cn2c(n1)ccc(c2)C(=O)c1c(Cl)cccc1Cl
  • InChi: 1S/C21H15Cl2N3OS/c1-28-15-5-2-4-14(10-15)24-18-12-26-11-13(8-9-19(26)25-18)21(27)20-16(22)6-3-7-17(20)23/h2-12,24H,1H3
  • InChiKey: VIIKIFKPRYMNGG-UHFFFAOYSA-N  

Network

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Synonyms

  • (2,6-dichlorophenyl)-[2-[3-(methylthio)anilino]-6-imidazo[1,2-a]pyridinyl]methanone
  • (2,6-dichlorophenyl)-[2-[(3-methylsulfanylphenyl)amino]imidazo[1,2-a]pyridin-6-yl]methanone
  • (2,6-dichlorophenyl)-[2-[3-(methylthio)anilino]imidazo[1,2-a]pyridin-6-yl]methanone
  • (2,6-dichlorophenyl)-[2-[(3-methylsulfanylphenyl)amino]imidazo[2,1-f]pyridin-6-yl]methanone
  • (2,6-dichlorophenyl)-[2-[[3-(methylthio)phenyl]amino]-6-imidazo[2,1-f]pyridinyl]methanone
  • (2,6-dichlorophenyl)-[2-[[3-(methylthio)phenyl]amino]imidazo[2,1-f]pyridin-6-yl]methanone
  • aminoimidazo[1,2-a]pyridine deriv. 2d

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cyclin E2 Starlite/ChEMBL References
Homo sapiens cyclin B2 Starlite/ChEMBL References
Homo sapiens cyclin D1 Starlite/ChEMBL References
Homo sapiens cyclin B3 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma cruzi cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclin A, putative Get druggable targets OG5_126649 All targets in OG5_126649
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus granulosus G2:mitotic specific cyclin B3 Get druggable targets OG5_134175 All targets in OG5_134175
Leishmania infantum cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Cryptosporidium hominis mitotic cyclin-CYC2 Get druggable targets OG5_126649 All targets in OG5_126649
Brugia malayi Cyclin, N-terminal domain containing protein Get druggable targets OG5_126649 All targets in OG5_126649
Candida albicans likely B-type cyclin similar to S. cerevisiae CLB4 (YLR210W) and CLB3 (YDL155W) involved in G1/S transition Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Candida albicans hypothetical protein Get druggable targets OG5_126649 All targets in OG5_126649
Brugia malayi Cyclin, N-terminal domain containing protein Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus multilocularis G2:mitotic specific cyclin B3 Get druggable targets OG5_134175 All targets in OG5_134175
Schistosoma japonicum ko:K05868 cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Brugia malayi Cyclin, N-terminal domain containing protein Get druggable targets OG5_134175 All targets in OG5_134175
Leishmania infantum CYC2-like cyclin, putative,cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania mexicana CYC2-like cyclin, putative,cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Candida albicans likely G2 B-type cyclin similar to S. cerevisiae CLB1 (YPR119W) which is involved in mitotic induction Get druggable targets OG5_126649 All targets in OG5_126649
Onchocerca volvulus Get druggable targets OG5_126649 All targets in OG5_126649
Giardia lamblia G2/mitotic-specific cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma congolense mitotic cyclin 6 Get druggable targets OG5_126649 All targets in OG5_126649
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126649 All targets in OG5_126649
Schistosoma mansoni cyclin B3 Get druggable targets OG5_134175 All targets in OG5_134175
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma congolense Cyclin, N-terminal domain/Cyclin, C-terminal domain containing protein, putative Get druggable targets OG5_126649 All targets in OG5_126649
Loa Loa (eye worm) cyclin domain-containing protein Get druggable targets OG5_134175 All targets in OG5_134175
Candida albicans likely G2 B-type cyclin similar to S. cerevisiae CLB1 (YPR119W) which is involved in mitotic induction Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Entamoeba histolytica cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Schistosoma japonicum IPR002155,Thiolase,domain-containing Get druggable targets OG5_134175 All targets in OG5_134175
Schistosoma mansoni cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126649 All targets in OG5_126649
Cryptosporidium parvum cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Schistosoma japonicum ko:K05868 cyclin B, putative Get druggable targets OG5_134175 All targets in OG5_134175
Trypanosoma brucei gambiense cyclin 6,mitotic cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania braziliensis cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania major cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma cruzi cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania donovani CYC2-like cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania mexicana cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma brucei mitotic cyclin 6 Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus granulosus cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma cruzi CYC2-like cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania donovani cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma cruzi cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania braziliensis CYC2-like cyclin, putative,cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649

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
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0276 0.096 0.5
Echinococcus granulosus neuropeptide receptor 0.0887 0.614 0.614
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0546 0.3245 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0225 0.0528 0.0528
Echinococcus multilocularis glutamate receptor NMDA 0.0945 0.6631 0.6631
Echinococcus granulosus nmda type glutamate receptor 0.1008 0.7159 0.7159
Echinococcus multilocularis G protein coupled receptor 139 0.0887 0.614 0.614
Echinococcus multilocularis nmda type glutamate receptor 0.1008 0.7159 0.7159
Schistosoma mansoni glutamate receptor NMDA 0.117 0.8538 1
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0225 0.0528 0.0528
Schistosoma mansoni neuropeptide receptor 0.0887 0.614 0.7191
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0225 0.0528 0.0528
Loa Loa (eye worm) hypothetical protein 0.0546 0.3245 1
Echinococcus multilocularis nmda type glutamate receptor 0.1343 1 1
Schistosoma mansoni cyclin B3 0.022 0.0486 0.0569
Echinococcus granulosus glutamate receptor 2 0.0225 0.0528 0.0528
Loa Loa (eye worm) cyclin domain-containing protein 0.022 0.0486 0.1498
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0225 0.0528 0.0528
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0225 0.0528 0.0528
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.05 0.286 1
Echinococcus granulosus glutamate receptor NMDA 0.0945 0.6631 0.6631
Echinococcus multilocularis glutamate receptor 2 0.0225 0.0528 0.0528
Echinococcus granulosus G2:mitotic specific cyclin B3 0.022 0.0486 0.0486
Echinococcus multilocularis neuropeptide receptor 0.0887 0.614 0.614
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.022 0.0486 0.0486
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.0546 0.3245 0.5
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0225 0.0528 0.0528
Brugia malayi Cyclin, N-terminal domain containing protein 0.022 0.0486 1
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0276 0.096 0.5
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0225 0.0528 0.0528
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0398 0.199 0.199
Chlamydia trachomatis glutamine binding protein 0.0276 0.096 0.5
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0276 0.096 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0225 0.0528 0.0528
Schistosoma mansoni d-amino acid oxidase 0.0546 0.3245 0.3801

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4.8 uM Inhibitory concentration against human Cyclin B-cyclin-dependent kinase 1 was observed ChEMBL. 15780638
IC50 (binding) = 4.8 uM Inhibitory concentration against human Cyclin B-cyclin-dependent kinase 1 was observed ChEMBL. 15780638
IC50 (binding) = 11.9 uM Inhibitory concentration against human Cyclin D1-cyclin-dependent kinase 4 was observed ChEMBL. 15780638
IC50 (binding) = 11.9 uM Inhibitory concentration against human Cyclin D1-cyclin-dependent kinase 4 was observed ChEMBL. 15780638
IC50 (binding) = 17.73 uM Inhibitory concentration against human Cyclin E-cyclin-dependent kinase 2 was observed ChEMBL. 15780638
IC50 (binding) = 17.73 uM Inhibitory concentration against human Cyclin E-cyclin-dependent kinase 2 was observed ChEMBL. 15780638

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

1 literature reference was collected for this gene.

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