Detailed information for compound 1252654

Basic information

Technical information
  • TDR Targets ID: 1252654
  • Name: 2-chloro-5-[[2-(chloro-nitromethylidene)imida zolidin-1-yl]methyl]pyridine
  • MW: 289.118 | Formula: C10H10Cl2N4O2
  • H donors: 1 H acceptors: 3 LogP: 2.65 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cn1)CN1CCN/C/1=C(\[N+](=O)[O-])/Cl
  • InChi: 1S/C10H10Cl2N4O2/c11-8-2-1-7(5-14-8)6-15-4-3-13-10(15)9(12)16(17)18/h1-2,5,13H,3-4,6H2/b10-9+
  • InChiKey: KQMIEXUFXYXHMY-MDZDMXLPSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-chloro-5-[[(2Z)-2-(chloro-nitromethylidene)imidazolidin-1-yl]methyl]pyridine
  • 2-chloro-5-[[2-(chloro-nitro-methylene)imidazolidin-1-yl]methyl]pyridine
  • 2-chloro-5-[[(2Z)-2-(chloro-nitro-methylene)imidazolidin-1-yl]methyl]pyridine
  • 2-chloro-5-[[2-(chloro-nitromethylene)-1-imidazolidinyl]methyl]pyridine
  • 2-chloro-5-[[(2Z)-2-(chloro-nitromethylene)-1-imidazolidinyl]methyl]pyridine
  • 2-chloro-5-[[2-(chloro-nitro-methylidene)imidazolidin-1-yl]methyl]pyridine
  • 2-chloro-5-[[(2Z)-2-(chloro-nitro-methylidene)imidazolidin-1-yl]methyl]pyridine
  • ZINC04301226
  • ZINC00198881
  • MLS000708364
  • SMR000287831
  • BAS 07022809

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
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0064 0.0698 1
Schistosoma mansoni serine/threonine protein kinase 0.0159 0.2401 0.9343
Brugia malayi hypothetical protein 0.0042 0.032 0.043
Loa Loa (eye worm) hypothetical protein 0.0048 0.0421 0.0566
Echinococcus multilocularis neuroglian 0.0045 0.0365 0.1419
Loa Loa (eye worm) hypothetical protein 0.0042 0.032 0.043
Brugia malayi Fibronectin type III domain containing protein 0.0042 0.032 0.043
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.0044 0.035 0.5017
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 2 0.0044 0.035 0.5017
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0484 0.3144
Echinococcus granulosus cyclin dependent kinase 7 0.008 0.0983 0.0983
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0052 0.0484 0.065
Brugia malayi Protein kinase domain containing protein 0.0159 0.2401 0.3224
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0064 0.0698 1
Schistosoma mansoni serine/threonine protein kinase 0.006 0.0641 0.2493
Loa Loa (eye worm) hypothetical protein 0.0082 0.1029 0.1382
Onchocerca volvulus 0.006 0.0637 0.2654
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0052 0.0484 0.1884
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0064 0.0698 1
Schistosoma mansoni serine/threonine protein kinase 0.0064 0.0698 0.2715
Loa Loa (eye worm) CMGC/CDK/CDK9 protein kinase 0.0049 0.0437 0.0587
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 1 0.0044 0.035 0.5017
Loa Loa (eye worm) hypothetical protein 0.0041 0.0303 0.0407
Trichomonas vaginalis CMGC family protein kinase 0.0047 0.04 0.1161
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0047 0.04 0.1423
Schistosoma mansoni serine/threonine protein kinase 0.0044 0.035 0.1362
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.003 0.0097 0.0097
Brugia malayi cyclin-dependent kinase 7 homolog 0.0087 0.1118 0.1501
Schistosoma mansoni serine/threonine protein kinase 0.0044 0.035 0.1362
Entamoeba histolytica protein kinase, putative 0.006 0.0641 0.1309
Plasmodium falciparum protein kinase 5 0.0047 0.04 0.1423
Onchocerca volvulus 0.0141 0.207 0.8619
Echinococcus multilocularis 3 phosphoinositide dependent protein kinase 1 0.006 0.0641 0.2493
Echinococcus granulosus serine:threonine protein kinase mig 15 0.0082 0.1029 0.1029
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0484 0.3144
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0047 0.04 0.1423
Echinococcus multilocularis roundabout 2 0.0048 0.0421 0.1639
Trypanosoma brucei cdc2-related kinase 3 0.0047 0.04 0.5726
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0052 0.0484 0.3852
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.006 0.0641 0.086
Onchocerca volvulus 0.006 0.0637 0.2654
Schistosoma mansoni serine/threonine protein kinase 0.003 0.0097 0.0376
Loa Loa (eye worm) STE/STE20/KHS protein kinase 0.003 0.0097 0.013
Giardia lamblia Kinase, CMGC CLK 0.0064 0.0698 1
Giardia lamblia Kinase, CMGC GSK 0.0052 0.0484 0.3852
Trichomonas vaginalis CMGC family protein kinase 0.006 0.0637 0.674
Entamoeba histolytica protein kinase, putative 0.0052 0.0484 0.0603
Echinococcus granulosus neuroglian 0.0045 0.0365 0.0365
Plasmodium falciparum protein serine/threonine kinase-1 0.0064 0.0698 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.032 0.043
Trichomonas vaginalis AGC family protein kinase 0.0068 0.0776 1
Schistosoma mansoni serine/threonine protein kinase 0.0064 0.0698 0.2715
Entamoeba histolytica protein kinase domain containing protein 0.0052 0.0484 0.0603
Echinococcus granulosus enhancer of mRNA decapping protein 4 0.0039 0.0253 0.0253
Leishmania major protein kinase, putative 0.0064 0.0698 1
Onchocerca volvulus 0.0052 0.0484 0.2016
Plasmodium vivax protein kinase Crk2 0.0047 0.04 0.1423
Echinococcus granulosus protein kinase 0.0063 0.0694 0.0694
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0042 0.032 0.1246
Echinococcus multilocularis Immunoglobulin 0.0042 0.032 0.1246
Brugia malayi Immunoglobulin I-set domain containing protein 0.0042 0.032 0.043
Echinococcus granulosus cyclin dependent kinase 1 0.0047 0.04 0.04
Trichomonas vaginalis CMGC family protein kinase 0.0047 0.04 0.1161
Echinococcus granulosus cyclin dependent kinase 9 0.0057 0.0573 0.0573
Echinococcus granulosus cyclin dependent kinase 0.0047 0.04 0.04
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0159 0.2401 0.2401
Echinococcus granulosus roundabout 2 0.0048 0.0421 0.0421
Plasmodium falciparum glycogen synthase kinase 3 0.0052 0.0484 0.3852
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0064 0.0698 0.0937
Trichomonas vaginalis AGC family protein kinase 0.006 0.0641 0.682
Echinococcus multilocularis cyclin dependent kinase 9 0.0057 0.0573 0.2228
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 1 0.0044 0.035 0.5017
Loa Loa (eye worm) hypothetical protein 0.0046 0.0377 0.0506
Schistosoma mansoni protein kinase 0.0088 0.1126 0.438
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0044 0.035 0.035
Schistosoma mansoni serine/threonine protein kinase 0.008 0.0983 0.3824
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.003 0.0097 0.0376
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0159 0.2401 0.3224
Brugia malayi cAMP-dependent protein kinase catalytic subunit, putative 0.0044 0.035 0.047
Loa Loa (eye worm) hypothetical protein 0.0048 0.0421 0.0566
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 2 0.0044 0.035 0.5017
Brugia malayi Protein kinase domain containing protein 0.006 0.0641 0.086
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0047 0.04 0.1423
Loa Loa (eye worm) hypothetical protein 0.0042 0.032 0.043
Echinococcus multilocularis 0.0058 0.0601 0.2339
Loa Loa (eye worm) AGC/DMPK/ROCK protein kinase 0.0443 0.7447 1
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.003 0.0097 0.0376
Brugia malayi Protein kinase domain containing protein 0.0443 0.7447 1
Echinococcus multilocularis rho associated protein kinase 0.0146 0.2166 0.8429
Loa Loa (eye worm) camk/mapkapk/mnk protein kinase 0.0406 0.6781 0.9105
Trypanosoma cruzi cdc2-related kinase 1 0.0047 0.04 0.5726
Brugia malayi Immunoglobulin I-set domain containing protein 0.0198 0.3083 0.414
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0047 0.04 0.0537
Echinococcus multilocularis cyclin dependent kinase 9 0.0049 0.0437 0.1701
Echinococcus granulosus Immunoglobulin 0.0042 0.032 0.032
Plasmodium vivax serine/threonine kinase-1, putative 0.0064 0.0698 1
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0052 0.0484 0.1884
Schistosoma mansoni serine/threonine protein kinase 0.0047 0.04 0.1555
Onchocerca volvulus 0.0145 0.2143 0.8926
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0068 0.0776 0.1042
Trypanosoma cruzi cdc2-related kinase 3 0.0047 0.04 0.5726
Echinococcus granulosus cyclin dependent kinase 5 0.0047 0.04 0.04
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0044 0.035 0.1362
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0159 0.2401 1
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0052 0.0484 0.3852
Trypanosoma brucei cdc2-related kinase 1 0.0047 0.04 0.5726
Onchocerca volvulus 0.0146 0.2166 0.9022
Schistosoma mansoni serine/threonine protein kinase 0.0049 0.0437 0.1701
Loa Loa (eye worm) CMGC/DYRK/HIPK protein kinase 0.0169 0.257 0.3451
Entamoeba histolytica cell division protein kinase 2, putative 0.0054 0.0535 0.0833
Schistosoma mansoni cell adhesion molecule 0.0046 0.0377 0.1466
Schistosoma mansoni kinase 0.0049 0.0437 0.1701
Echinococcus multilocularis dual specificity protein kinase clk2 0.0064 0.0698 0.2715
Trichomonas vaginalis CMGC family protein kinase 0.0064 0.0698 0.8161
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0047 0.04 0.0537
Schistosoma mansoni protein kinase 0.0063 0.0694 0.2699
Schistosoma mansoni serine/threonine protein kinase 0.0047 0.04 0.1555
Schistosoma mansoni serine/threonine protein kinase 0.0146 0.2166 0.8429
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0159 0.2401 0.3224
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.003 0.0097 0.0376
Giardia lamblia Kinase, CMGC CDK 0.0047 0.04 0.1423
Loa Loa (eye worm) CMGC/CDK/CDK7 protein kinase 0.008 0.0983 0.132
Schistosoma mansoni serine/threonine protein kinase 0.008 0.0983 0.3824
Entamoeba histolytica cell division protein kinase 2, putative 0.0047 0.04 0.0223
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0047 0.04 0.0537
Entamoeba histolytica protein kinase domain containing protein 0.0169 0.257 1
Leishmania major protein kinase, putative 0.0064 0.0698 1
Trypanosoma brucei protein kinase A catalytic subunit, putative 0.0044 0.035 0.5017
Loa Loa (eye worm) STE/STE20/MSN protein kinase 0.0063 0.0694 0.0931
Echinococcus multilocularis protein kinase shaggy 0.0052 0.0484 0.1884
Echinococcus granulosus hypothetical protein 0.0058 0.0601 0.0601
Loa Loa (eye worm) hypothetical protein 0.0058 0.0601 0.0807
Schistosoma mansoni serine/threonine protein kinase 0.003 0.0097 0.0376
Echinococcus granulosus CDC7 cell division cycle 7 0.006 0.0637 0.0637
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0052 0.0484 0.6936
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.003 0.0097 0.0097
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0064 0.0698 1
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0044 0.035 0.035
Loa Loa (eye worm) hypothetical protein 0.0044 0.035 0.047
Giardia lamblia Kinase, CMGC CDK 0.0047 0.04 0.1423
Echinococcus granulosus cyclin dependent kinase 9 0.0049 0.0437 0.0437
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0044 0.035 0.1362
Echinococcus granulosus defective proboscis extension response 0.0042 0.032 0.032
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0052 0.0484 0.065
Echinococcus multilocularis homeodomain interacting protein kinase 3 0.0169 0.257 1
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0044 0.035 0.1362
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0042 0.032 0.1246
Schistosoma mansoni vesicular amine transporter 0.0042 0.032 0.1246
Brugia malayi Protein kinase domain containing protein 0.006 0.0637 0.0856
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.003 0.0097 0.0097
Onchocerca volvulus Tyrosine kinase homolog 0.0155 0.2319 0.9656
Trypanosoma brucei protein kinase, putative 0.0052 0.0484 0.6936
Schistosoma mansoni serine/threonine protein kinase 0.0044 0.035 0.1362
Echinococcus granulosus 3-phosphoinositide-dependent protein kinase 1 0.006 0.0641 0.0641
Loa Loa (eye worm) AGC/PKA protein kinase 0.0044 0.035 0.047
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0159 0.2401 0.3224
Echinococcus multilocularis cyclin dependent kinase 5 0.0047 0.04 0.1555
Brugia malayi cell division control protein 2 homolog 0.0047 0.04 0.0537
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0052 0.0484 0.0484
Trichomonas vaginalis AGC family protein kinase 0.006 0.0641 0.682
Schistosoma mansoni protein kinase 0.003 0.0097 0.0376
Echinococcus multilocularis cyclin dependent kinase 1 0.0047 0.04 0.1555
Loa Loa (eye worm) CDC7 protein kinase 0.006 0.0637 0.0856
Brugia malayi cyclin-dependent kinase 9 0.0049 0.0437 0.0587
Plasmodium vivax glycogen synthase kinase 3, putative 0.0052 0.0484 0.3852
Schistosoma mansoni serine/threonine protein kinase 0.006 0.0637 0.248
Loa Loa (eye worm) hypothetical protein 0.0042 0.032 0.043
Echinococcus granulosus twitchin 0.005 0.0461 0.0461
Trypanosoma cruzi cdc2-related kinase 1 0.0047 0.04 0.5726
Trichomonas vaginalis CMGC family protein kinase 0.006 0.0637 0.674
Echinococcus multilocularis cyclin dependent kinase 0.0047 0.04 0.1555
Echinococcus granulosus dual specificity protein kinase clk2 0.0064 0.0698 0.0698
Echinococcus multilocularis Immunoglobulin 0.0042 0.032 0.1246
Brugia malayi Protein kinase domain containing protein 0.003 0.0097 0.013
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0159 0.2401 0.9343
Trichomonas vaginalis CMGC family protein kinase 0.006 0.0637 0.674
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0064 0.0698 1
Echinococcus multilocularis CDC7 cell division cycle 7 0.006 0.0637 0.248
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0064 0.0698 1
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0042 0.032 0.1246
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.0044 0.035 0.5017
Loa Loa (eye worm) hypothetical protein 0.0042 0.032 0.043
Brugia malayi probable protein kinase 0.0088 0.1126 0.1512
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0047 0.04 0.04
Giardia lamblia Kinase, CMGC GSK 0.0052 0.0484 0.3852
Echinococcus multilocularis enhancer of mRNA decapping protein 4 0.0039 0.0253 0.0986
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0064 0.0698 1
Brugia malayi phosphoinositide-dependent protein kinase I 0.006 0.0641 0.086
Brugia malayi intracellular kinase 0.0052 0.0484 0.065
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0198 0.3083 0.414
Entamoeba histolytica protein kinase domain containing protein 0.0049 0.0437 0.0392
Echinococcus granulosus rho-associated protein kinase 1 0.0146 0.2166 0.2166
Echinococcus multilocularis cyclin dependent kinase 7 0.008 0.0983 0.3824
Giardia lamblia Kinase, CDC7 0.006 0.0637 0.8259
Brugia malayi Protein kinase domain containing protein 0.0047 0.04 0.0537
Trichomonas vaginalis CMGC family protein kinase 0.0047 0.04 0.1161
Echinococcus multilocularis cyclin dependent kinase 1 0.0047 0.04 0.1555
Echinococcus multilocularis 0.0063 0.0694 0.2699
Echinococcus granulosus homeodomain interacting protein kinase 3 0.0169 0.257 0.257
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0044 0.035 0.035
Entamoeba histolytica protein kinase domain containing protein 0.0052 0.0484 0.0603
Trypanosoma cruzi cdc2-related kinase 3 0.0047 0.04 0.5726
Schistosoma mansoni serine/threonine protein kinase 0.0169 0.257 1
Brugia malayi Protein kinase domain containing protein 0.0406 0.6781 0.9105
Schistosoma mansoni nephrin 0.0045 0.0365 0.1419
Brugia malayi Protein kinase domain containing protein 0.0064 0.0698 0.0937
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0046 0.0377 0.0377
Loa Loa (eye worm) hypothetical protein 0.0042 0.032 0.043
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0044 0.035 0.1362
Echinococcus granulosus protein kinase shaggy 0.0052 0.0484 0.0484
Brugia malayi Homeodomain interacting protein kinase protein 1 0.0169 0.257 0.3451
Loa Loa (eye worm) AGC/PKA protein kinase 0.0044 0.035 0.047

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 14.7157 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) 18.526 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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