Detailed information for compound 411887

Basic information

Technical information
  • TDR Targets ID: 411887
  • Name: N-(5-chloro-6-methyl-2-pyridin-3-ylpyrimidin- 4-yl)ethane-1,2-diamine
  • MW: 263.726 | Formula: C12H14ClN5
  • H donors: 2 H acceptors: 3 LogP: 1.2 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCNc1nc(nc(c1Cl)C)c1cccnc1
  • InChi: 1S/C12H14ClN5/c1-8-10(13)12(16-6-4-14)18-11(17-8)9-3-2-5-15-7-9/h2-3,5,7H,4,6,14H2,1H3,(H,16,17,18)
  • InChiKey: SOOWFYPSTMSGKM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[5-chloro-6-methyl-2-(3-pyridyl)pyrimidin-4-yl]ethane-1,2-diamine
  • N-[5-chloro-6-methyl-2-(3-pyridyl)-4-pyrimidinyl]ethane-1,2-diamine
  • N-(5-chloro-6-methyl-2-pyridin-3-yl-pyrimidin-4-yl)ethane-1,2-diamine
  • 2-aminoethyl-[5-chloro-6-methyl-2-(3-pyridyl)pyrimidin-4-yl]amine

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
Mycobacterium tuberculosis Probable metal cation transporter P-type ATPase CtpV 0.0009 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.4681 1
Schistosoma mansoni eyes absent homolog 0.009 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.4681 0.4681
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0009 0 0.5
Entamoeba histolytica phospholipid-transporting P-type ATPase, putative 0.0009 0 0.5
Treponema pallidum hypothetical protein 0.0009 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.4681 1
Loa Loa (eye worm) hepatopoietin HPO2 0.0035 0.3245 0.3245
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0035 0.3245 1
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0009 0 0.5
Trichomonas vaginalis ATPase, class VI, type 11C, putative 0.0009 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.4681 0.4681
Onchocerca volvulus 0.0009 0 0.5
Trichomonas vaginalis cation-transporting ATPase fungi, putative 0.0009 0 0.5
Mycobacterium ulcerans metal cation-transporting p-type ATPase CtpC 0.0009 0 0.5
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0009 0 0.5
Entamoeba histolytica phospholipid-transporting P-type ATPase, putative 0.0009 0 0.5
Trichomonas vaginalis cation-transporting ATPase, putative 0.0009 0 0.5
Loa Loa (eye worm) hypothetical protein 0.009 1 1
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0035 0.3245 1
Chlamydia trachomatis metal transport ATPase 0.0009 0 0.5
Mycobacterium ulcerans metal cation transporter ATPase p-type CtpE 0.0009 0 0.5
Mycobacterium tuberculosis Cation transporter P-type ATPase a CtpA 0.0009 0 0.5
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0035 0.3245 1
Mycobacterium ulcerans cation-transporter ATPase I CtpI 0.0009 0 0.5
Entamoeba histolytica phospholipid-transporting P-type ATPase, putative 0.0009 0 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.4681 0.4681
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0009 0 0.5
Toxoplasma gondii Erv1 / Alr family protein 0.0035 0.3245 1
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0035 0.3245 1
Treponema pallidum cation-transporting ATPase, P-type 0.0009 0 0.5
Brugia malayi Augmenter of liver regeneration 0.0035 0.3245 0.3245
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.4681 0.4681
Mycobacterium leprae Probable metal cation-transporting P-type ATPase C CtpC 0.0009 0 0.5
Trichomonas vaginalis phospholipid-transporting ATPase, putative 0.0009 0 0.5
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0009 0 0.5
Mycobacterium leprae PROBABLE CATION-TRANSPORTER ATPASE I CTPI 0.0009 0 0.5
Entamoeba histolytica plasma membrane calcium ion-transporting ATPase, putative 0.0009 0 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.4681 0.4681
Giardia lamblia Copper-transporting P-type ATPase 0.0009 0 0.5
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0035 0.3245 0.6933
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0009 0 0.5
Trichomonas vaginalis cation-transporting ATPase, putative 0.0009 0 0.5
Mycobacterium tuberculosis Probable metal cation transporter ATPase P-type CtpE 0.0009 0 0.5
Mycobacterium ulcerans cation transporter p-type ATPase D CtpD 0.0009 0 0.5
Giardia lamblia Phospholipid-transporting ATPase IA, putative 0.0009 0 0.5
Entamoeba histolytica cation-transporting P-typeATPase, putative 0.0009 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.4681 1
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0035 0.3245 1
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0009 0 0.5
Trichomonas vaginalis ATPase, class I, type 8B, putative 0.0009 0 0.5
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0035 0.3245 0.6933
Mycobacterium tuberculosis Probable cation transporter P-type ATPase D CtpD 0.0009 0 0.5
Mycobacterium ulcerans cation transporter p-type ATPase a CtpA 0.0009 0 0.5
Loa Loa (eye worm) hypothetical protein 0.009 1 1
Mycobacterium ulcerans cation-transporter p-type ATPase B CtpB 0.0009 0 0.5
Giardia lamblia Plasma membrane calcium-transporting ATPase 2 0.0009 0 0.5
Mycobacterium leprae PROBABLE CATION-TRANSPORTER P-TYPE ATPASE B CTPB 0.0009 0 0.5
Mycobacterium ulcerans metal cation-transporting p-type ATPase F, CtpF 0.0009 0 0.5
Trichomonas vaginalis cation-transporting ATPase, putative 0.0009 0 0.5
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0035 0.3245 1
Leishmania major hypothetical protein, conserved 0.0035 0.3245 1
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0009 0 0.5
Mycobacterium ulcerans metal cation transporter p-type ATPase, CtpV 0.0009 0 0.5
Mycobacterium tuberculosis Possible metal cation transporting P-type ATPase CtpH 0.0009 0 0.5
Trichomonas vaginalis cation-transporting ATPase, putative 0.0009 0 0.5
Entamoeba histolytica calcium-transporting P-type ATPase, putative 0.0009 0 0.5
Toxoplasma gondii Erv1 / Alr family protein 0.0035 0.3245 1
Mycobacterium ulcerans metal cation transporter p-type ATPase a 0.0009 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.4681 1
Entamoeba histolytica plasma membrane calcium-transporting ATPase 1, putative 0.0009 0 0.5
Trichomonas vaginalis cation-transporting ATPase, putative 0.0009 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) 0 Inhibition of delayed rectifier potassium current in Sprague-Dawley rat hippocampal neurons at 300 uM ChEMBL. 17201412
IC50 (binding) = 4.08 Inhibition of voltage-gated potassium channel ChEMBL. 17201412
IC50 (binding) = 83 uM Blockade of voltage-gated potassium channel assessed as inhibition of fast transient potassium current in Sprague-Dawley rat hippocampal neurons by whole cell voltage clamp method ChEMBL. 17201412
IC50 (binding) = 244 uM Blockade of voltage-gated potassium channel assessed by inhibition of delayed rectifier potassium current in Sprague-Dawley rat hippocampal neurons by whole cell voltage clamp method ChEMBL. 17201412
Inhibition (functional) = -9 % Inhibition of fast transient potassium current in Sprague-Dawley rat hippocampal neurons at 100 uM by whole cell voltage clamp method ChEMBL. 17201412
Log IC50 (binding) = 4.08 Inhibition of voltage-gated potassium channel ChEMBL. 17201412
Ratio IC50 (binding) = 2.9 Selectivity for inhibition of delayed rectifier potassium current over inhibition of fast transient potassium current at potassium channel in Sprague-Dawley rat hippocampal neurons ChEMBL. 17201412

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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