Detailed information for compound 1643886

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 377.85 | Formula: C19H12ClN5S
  • H donors: 2 H acceptors: 3 LogP: 4.93 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccccc1Nc1nc2c(cccc2c2c1scc2)c1[nH]cnn1
  • InChi: 1S/C19H12ClN5S/c20-14-6-1-2-7-15(14)23-19-17-12(8-9-26-17)11-4-3-5-13(16(11)24-19)18-21-10-22-25-18/h1-10H,(H,23,24)(H,21,22,25)
  • InChiKey: QUQCDJVOANWCBN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens Pim-1 proto-oncogene, serine/threonine kinase Starlite/ChEMBL References
Homo sapiens Pim-2 proto-oncogene, serine/threonine kinase Starlite/ChEMBL References
Homo sapiens casein kinase 2, beta polypeptide References
Homo sapiens casein kinase 2, alpha 1 polypeptide References
Homo sapiens fms-related tyrosine kinase 3 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Giardia lamblia Casein kinase II beta chain Get druggable targets OG5_126846 All targets in OG5_126846
Candida albicans Casein kinase II, regulatory (beta-prime) subunit Get druggable targets OG5_126846 All targets in OG5_126846
Plasmodium falciparum casein kinase II beta chain Get druggable targets OG5_126846 All targets in OG5_126846
Theileria parva casein kinase II, alpha chain Get druggable targets OG5_126901 All targets in OG5_126901
Echinococcus granulosus proto oncogene serine:threonine protein kinase Get druggable targets OG5_134863 All targets in OG5_134863
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Candida albicans Casein kinase II, regulatory (beta) subunit Get druggable targets OG5_126846 All targets in OG5_126846
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_134863 All targets in OG5_134863
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Cryptosporidium hominis protein kinase domain Get druggable targets OG5_126901 All targets in OG5_126901
Brugia malayi Csnk2b protein Get druggable targets OG5_126846 All targets in OG5_126846
Plasmodium berghei casein kinase 2, alpha subunit Get druggable targets OG5_126901 All targets in OG5_126901
Giardia lamblia Kinase, CMGC CK2 Get druggable targets OG5_126901 All targets in OG5_126901
Brugia malayi Casein kinase II, alpha chain Get druggable targets OG5_126901 All targets in OG5_126901
Leishmania major casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Leishmania donovani Casein kinase II subunit beta, putative Get druggable targets OG5_126846 All targets in OG5_126846
Loa Loa (eye worm) CMGC/CK2 protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Leishmania major protein kinase ck2 regulatory subunit, putative Get druggable targets OG5_126846 All targets in OG5_126846
Plasmodium yoelii protein kinase Ck2-beta Get druggable targets OG5_126846 All targets in OG5_126846
Schistosoma mansoni casein kinase II beta subunit Get druggable targets OG5_126846 All targets in OG5_126846
Leishmania mexicana casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Echinococcus granulosus casein kinase ii subunit alpha Get druggable targets OG5_126901 All targets in OG5_126901
Echinococcus multilocularis proto oncogene serine:threonine protein kinase Get druggable targets OG5_134863 All targets in OG5_134863
Babesia bovis protein kinase CK2 regulatory subunit CK2B1 Get druggable targets OG5_126846 All targets in OG5_126846
Toxoplasma gondii ck2 beta subunit Get druggable targets OG5_126846 All targets in OG5_126846
Plasmodium berghei casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Trypanosoma brucei Casein kinase II Get druggable targets OG5_126901 All targets in OG5_126901
Candida albicans Casein kinase II, regulatory (beta) subunit Get druggable targets OG5_126846 All targets in OG5_126846
Plasmodium vivax unspecified product Get druggable targets OG5_126901 All targets in OG5_126901
Brugia malayi Serine/threonine-protein kinase Pim-3 Get druggable targets OG5_134863 All targets in OG5_134863
Trypanosoma brucei Casein kinase II subunit beta, putative Get druggable targets OG5_126846 All targets in OG5_126846
Plasmodium yoelii Protein kinase domain Get druggable targets OG5_126901 All targets in OG5_126901
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Loa Loa (eye worm) CAMK/PIM protein kinase Get druggable targets OG5_134863 All targets in OG5_134863
Trypanosoma cruzi casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Candida albicans likely protein kinase similar to S. cerevisiae CKA1 (YIL035C) alpha subunit of protein kinase 2, aka casein kinase II Get druggable targets OG5_126901 All targets in OG5_126901
Trypanosoma congolense Casein kinase II subunit beta, putative Get druggable targets OG5_126846 All targets in OG5_126846
Leishmania infantum casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Plasmodium vivax casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Cryptosporidium parvum casein kinase II, alpha subunit, putative Get druggable targets OG5_126901 All targets in OG5_126901
Entamoeba histolytica casein kinase II regulatory subunit family protein Get druggable targets OG5_126846 All targets in OG5_126846
Plasmodium knowlesi casein kinase 2, alpha subunit, putative Get druggable targets OG5_126901 All targets in OG5_126901
Schistosoma japonicum ko:K04702 proto-oncogene serine/threonine-protein kinase Pim-1, putative Get druggable targets OG5_134863 All targets in OG5_134863
Schistosoma mansoni protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Loa Loa (eye worm) CAMK/PIM protein kinase Get druggable targets OG5_134863 All targets in OG5_134863
Plasmodium knowlesi casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Leishmania infantum protein kinase ck2 regulatory subunit, putative Get druggable targets OG5_126846 All targets in OG5_126846
Babesia bovis casein kinase II, alpha chain (CK II) Get druggable targets OG5_126901 All targets in OG5_126901
Plasmodium yoelii casein kinase ii beta chain Get druggable targets OG5_126846 All targets in OG5_126846
Schistosoma japonicum ko:K03115 casein kinase 2, beta polypeptide, putative Get druggable targets OG5_126846 All targets in OG5_126846
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Plasmodium falciparum casein kinase 2, alpha subunit Get druggable targets OG5_126901 All targets in OG5_126901
Echinococcus multilocularis casein kinase ii subunit alpha Get druggable targets OG5_126901 All targets in OG5_126901
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Schistosoma japonicum ko:K03097 casein kinase 2, alpha polypeptide, putative Get druggable targets OG5_126901 All targets in OG5_126901
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_126901 All targets in OG5_126901
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Entamoeba histolytica casein kinase, putative Get druggable targets OG5_126901 All targets in OG5_126901
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Cryptosporidium parvum putative casein kinase II regulatory subunit; besthit Pf 23508244 Get druggable targets OG5_126846 All targets in OG5_126846
Trypanosoma brucei gambiense casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Loa Loa (eye worm) Csnk2b protein Get druggable targets OG5_126846 All targets in OG5_126846
Entamoeba histolytica casein kinase II regulatory subunit family protein Get druggable targets OG5_126846 All targets in OG5_126846
Theileria parva casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Cryptosporidium hominis protein kinase Ck2-beta Get druggable targets OG5_126846 All targets in OG5_126846
Leishmania braziliensis protein kinase ck2 regulatory subunit, putative Get druggable targets OG5_126846 All targets in OG5_126846
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Plasmodium vivax casein kinase 2, alpha subunit, putative Get druggable targets OG5_126901 All targets in OG5_126901
Neospora caninum casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_134863 All targets in OG5_134863
Leishmania mexicana protein kinase ck2 regulatory subunit, putative Get druggable targets OG5_126846 All targets in OG5_126846
Theileria parva casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Cryptosporidium parvum putative protein kinase CK2 regulatory subunit CK2B1 Get druggable targets OG5_126846 All targets in OG5_126846
Leishmania donovani casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Plasmodium berghei casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Plasmodium vivax casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Neospora caninum YOR039Wp-like protein, related Get druggable targets OG5_126846 All targets in OG5_126846
Neospora caninum hypothetical protein Get druggable targets OG5_126901 All targets in OG5_126901
Onchocerca volvulus Serine\/threonine protein kinase homolog Get druggable targets OG5_134863 All targets in OG5_134863
Toxoplasma gondii casein kinase ii regulatory subunit protein Get druggable targets OG5_126846 All targets in OG5_126846
Babesia bovis casein kinase II beta 4 subunit, putative Get druggable targets OG5_126846 All targets in OG5_126846
Schistosoma japonicum ko:K03115 casein kinase 2, beta polypeptide, putative Get druggable targets OG5_126846 All targets in OG5_126846
Schistosoma japonicum Casein kinase II subunit beta, putative Get druggable targets OG5_126846 All targets in OG5_126846
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Plasmodium falciparum casein kinase II beta chain Get druggable targets OG5_126846 All targets in OG5_126846
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Echinococcus granulosus casein kinase ii subunit beta Get druggable targets OG5_126846 All targets in OG5_126846
Leishmania braziliensis casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Trypanosoma cruzi Casein kinase II subunit beta, putative Get druggable targets OG5_126846 All targets in OG5_126846
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Candida albicans Casein kinase II alpha' subunit Get druggable targets OG5_126901 All targets in OG5_126901
Entamoeba histolytica casein kinase II regulatory subunit family protein Get druggable targets OG5_126846 All targets in OG5_126846
Onchocerca volvulus Casein kinase II subunit beta homolog Get druggable targets OG5_126846 All targets in OG5_126846
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Echinococcus multilocularis casein kinase ii subunit beta Get druggable targets OG5_126846 All targets in OG5_126846
Trypanosoma congolense casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Trypanosoma brucei gambiense protein kinase ck2 regulatory subunit, putative Get druggable targets OG5_126846 All targets in OG5_126846
Toxoplasma gondii CMGC kinase, CK2 family Get druggable targets OG5_126901 All targets in OG5_126901
Candida albicans Casein kinase II, regulatory (beta-prime) subunit Get druggable targets OG5_126846 All targets in OG5_126846
Trypanosoma cruzi Casein kinase II subunit beta, putative Get druggable targets OG5_126846 All targets in OG5_126846
Plasmodium knowlesi casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Candida albicans Casein kinase II alpha' subunit Get druggable targets OG5_126901 All targets in OG5_126901
Onchocerca volvulus Casein kinase II subunit beta homolog Get druggable targets OG5_126846 All targets in OG5_126846
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi casein kinase II, alpha chain, putative casein kinase 2, alpha 1 polypeptide 391 aa 316 aa 51.3 %
Trypanosoma brucei protein lipid droplet kinase (LDK) Pim-2 proto-oncogene, serine/threonine kinase 311 aa 278 aa 28.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.2397 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0082 0.0267 1
Loa Loa (eye worm) Csnk2b protein 0.0044 0.0107 0.1459
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.2397 1 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0194 0.0735 1
Entamoeba histolytica protein kinase domain containing protein 0.0082 0.0267 0.1426
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0194 0.0735 1
Trichomonas vaginalis CMGC family protein kinase 0.0082 0.0267 1
Entamoeba histolytica fatty acid elongase, putative 0.0311 0.123 1
Trichomonas vaginalis CMGC family protein kinase 0.0082 0.0267 1
Trichomonas vaginalis CMGC family protein kinase 0.0082 0.0267 1
Trichomonas vaginalis CMGC family protein kinase 0.0082 0.0267 1
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0194 0.0735 1
Giardia lamblia Kinase, CMGC CK2 0.0082 0.0267 1
Entamoeba histolytica casein kinase, putative 0.0082 0.0267 0.1426
Loa Loa (eye worm) hypothetical protein 0.002 0.0006 0.0083
Loa Loa (eye worm) CMGC/CK2 protein kinase 0.0082 0.0267 0.3637
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.2397 1 0.5
Brugia malayi Casein kinase II, alpha chain 0.0082 0.0267 0.3637
Plasmodium vivax unspecified product 0.0082 0.0267 0.0162
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0194 0.0735 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0033 0.006 0.0821
Schistosoma mansoni casein kinase II beta subunit 0.0044 0.0107 0.1459
Brugia malayi Csnk2b protein 0.0044 0.0107 0.1459
Echinococcus granulosus casein kinase ii subunit alpha 0.0082 0.0267 0.3637
Brugia malayi Immunoglobulin I-set domain containing protein 0.0033 0.006 0.0821
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.2397 1 0.5
Trypanosoma cruzi casein kinase II, putative 0.0082 0.0267 1
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0194 0.0735 1
Trypanosoma brucei Casein kinase II 0.0082 0.0267 1
Toxoplasma gondii CMGC kinase, CK2 family 0.0082 0.0267 1
Echinococcus granulosus casein kinase ii subunit beta 0.0044 0.0107 0.1459
Echinococcus granulosus twitchin 0.002 0.0007 0.0096
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0194 0.0735 1
Entamoeba histolytica fatty acid elongase, putative 0.0311 0.123 1
Trichomonas vaginalis CMGC family protein kinase 0.0082 0.0267 1
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0194 0.0735 1
Entamoeba histolytica fatty acid elongase, putative 0.0311 0.123 1
Leishmania major casein kinase II, putative 0.0082 0.0267 1
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.2397 1 0.5
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.2397 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0082 0.0267 1
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.2397 1 0.5
Entamoeba histolytica fatty acid elongase, putative 0.0311 0.123 1
Entamoeba histolytica fatty acid elongase, putative 0.0311 0.123 1
Schistosoma mansoni protein kinase 0.0082 0.0267 0.3637
Echinococcus multilocularis casein kinase ii subunit beta 0.0044 0.0107 0.1459
Plasmodium falciparum casein kinase 2, alpha subunit 0.0082 0.0267 0.0162
Plasmodium vivax casein kinase 2, alpha subunit, putative 0.0082 0.0267 0.0162
Echinococcus multilocularis casein kinase ii subunit alpha 0.0082 0.0267 0.3637
Brugia malayi Protein kinase domain containing protein 0.0194 0.0735 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 16.1 uM Antiproliferative activity against human BxPC3 cells after 48 hrs by alamar blue assay ChEMBL. 22460033
IC50 (binding) = 0.004 uM Inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate and 30 uM ATP by radiometric assay ChEMBL. 22460033
IC50 (binding) = 0.006 uM Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate and 5 uM ATP by radiometric assay ChEMBL. 22460033
IC50 (binding) = 0.021 uM Inhibition of human recombinant CK2 (alphaalpha-betabeta) holoenzyme using RRRDDDSDDD as substrate and 15 uM ATP by radiometric assay ChEMBL. 22460033
IC50 (binding) > 10 uM Inhibition of Flt3 ChEMBL. 22460033
Inhibition (binding) Inhibition of Flt3 at < 5 uM ChEMBL. 22460033

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 22460033

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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