Detailed information for compound 961909

Basic information

Technical information
  • TDR Targets ID: 961909
  • Name: 2-[4-(5-chloro-6-methyl-2-pyridin-2-ylpyrimid in-4-yl)piperazin-1-yl]ethanol
  • MW: 333.816 | Formula: C16H20ClN5O
  • H donors: 1 H acceptors: 4 LogP: 1.44 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCN1CCN(CC1)c1nc(nc(c1Cl)C)c1ccccn1
  • InChi: 1S/C16H20ClN5O/c1-12-14(17)16(22-8-6-21(7-9-22)10-11-23)20-15(19-12)13-4-2-3-5-18-13/h2-5,23H,6-11H2,1H3
  • InChiKey: NLGYGVCRRXIJRR-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[4-[5-chloro-6-methyl-2-(2-pyridyl)pyrimidin-4-yl]piperazin-1-yl]ethanol
  • 2-[4-[5-chloro-6-methyl-2-(2-pyridyl)-4-pyrimidinyl]-1-piperazinyl]ethanol
  • 2-[4-(5-chloro-6-methyl-2-pyridin-2-yl-pyrimidin-4-yl)piperazin-1-yl]ethanol
  • Oprea1_856876
  • Maybridge1_000441
  • SR-01000641787-1
  • AW 00143

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens methionyl aminopeptidase 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Treponema pallidum methionine aminopeptidase (map) Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium yoelii methionine aminopeptidase, type I, putative Get druggable targets OG5_126721 All targets in OG5_126721
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) Get druggable targets OG5_126721 All targets in OG5_126721
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) Get druggable targets OG5_126721 All targets in OG5_126721
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) Get druggable targets OG5_126721 All targets in OG5_126721
Babesia bovis methionine aminopeptidase, putative Get druggable targets OG5_126721 All targets in OG5_126721
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma brucei gambiense methionine aminopeptidase, putative,metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium yoelii methionine aminopeptidase, type I Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium vivax methionine aminopeptidase 1a, putative Get druggable targets OG5_126721 All targets in OG5_126721
Schistosoma japonicum Methionine aminopeptidase 1, putative Get druggable targets OG5_126721 All targets in OG5_126721
Leishmania mexicana methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Theileria parva methionine aminopeptidase, type I, putative Get druggable targets OG5_126721 All targets in OG5_126721
Cryptosporidium hominis methionine aminopeptidase 1 (MetAP 1) (MAP 1) (Peptidase M 1) Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma brucei methionine aminopeptidase, type I, putative Get druggable targets OG5_126721 All targets in OG5_126721
Toxoplasma gondii methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Loa Loa (eye worm) methionine aminopeptidase type I Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium knowlesi methionine aminopeptidase 1b, putative Get druggable targets OG5_126721 All targets in OG5_126721
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Candida albicans methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Chlamydia trachomatis methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Toxoplasma gondii methionine aminopeptidase, type i, putative Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium falciparum methionine aminopeptidase 1b, putative Get druggable targets OG5_126721 All targets in OG5_126721
Mycobacterium ulcerans methionine aminopeptidase MapB Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium knowlesi methionine aminopeptidase 1a, putative Get druggable targets OG5_126721 All targets in OG5_126721
Leishmania donovani metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Mycobacterium ulcerans methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium berghei methionine aminopeptidase 1b, putative Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium falciparum methionine aminopeptidase 1a, putative Get druggable targets OG5_126721 All targets in OG5_126721
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) Get druggable targets OG5_126721 All targets in OG5_126721
Theileria parva methionine aminopeptidase, type I, putative Get druggable targets OG5_126721 All targets in OG5_126721
Schistosoma japonicum ko:K01265 methionyl aminopeptidase [EC3.4.11.18], putative Get druggable targets OG5_126721 All targets in OG5_126721
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) Get druggable targets OG5_126721 All targets in OG5_126721
Leishmania braziliensis methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma congolense metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Babesia bovis methionine aminopeptidase, putative Get druggable targets OG5_126721 All targets in OG5_126721
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) Get druggable targets OG5_126721 All targets in OG5_126721
Neospora caninum methionine aminopeptidase, putative Get druggable targets OG5_126721 All targets in OG5_126721
Schistosoma japonicum ko:K01265 methionyl aminopeptidase [EC3.4.11.18], putative Get druggable targets OG5_126721 All targets in OG5_126721
Neospora caninum methionine aminopeptidase, putative Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma brucei methionine aminopeptidase, putative Get druggable targets OG5_126721 All targets in OG5_126721
Leishmania infantum methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Echinococcus granulosus methionyl aminopeptidase 1 M24 family Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium berghei methionine aminopeptidase 1a, putative Get druggable targets OG5_126721 All targets in OG5_126721
Toxoplasma gondii methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Brugia malayi Methionine aminopeptidase protein type I Get druggable targets OG5_126721 All targets in OG5_126721
Neospora caninum methionine aminopeptidase, putative Get druggable targets OG5_126721 All targets in OG5_126721
Candida albicans methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) Get druggable targets OG5_126721 All targets in OG5_126721
Cryptosporidium parvum methionine aminopeptidase with MYND finger at N-terminus Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium vivax methionine aminopeptidase 1b, putative Get druggable targets OG5_126721 All targets in OG5_126721

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii methionine aminopeptidase 2, putative methionyl aminopeptidase 1 386 aa 313 aa 20.4 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trichomonas vaginalis conserved hypothetical protein 0.011014 0.265934 1
Loa Loa (eye worm) hypothetical protein 0.0315264 1 1
Plasmodium falciparum amino acid transporter, putative 0.0053517 0.0632988 0.644834
Giardia lamblia NADPH oxidoreductase, putative 0.011014 0.265934 0.5
Toxoplasma gondii methionine aminopeptidase 0.00632592 0.0981629 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0053517 0.0632988 0.0632988
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0053517 0.0632988 0.644834
Loa Loa (eye worm) serotonin transporter b 0.0315264 1 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0053517 0.0632988 0.0632988
Echinococcus granulosus serotonin transporter 0.0315264 1 1
Trichomonas vaginalis conserved hypothetical protein 0.011014 0.265934 1
Plasmodium falciparum transporter, putative 0.0053517 0.0632988 0.644834
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.011014 0.265934 1
Trichomonas vaginalis conserved hypothetical protein 0.011014 0.265934 1
Trichomonas vaginalis conserved hypothetical protein 0.011014 0.265934 1
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.011014 0.265934 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.0053517 0.0632988 0.0632988
Trichomonas vaginalis conserved hypothetical protein 0.011014 0.265934 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0315264 1 1
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 0.00358291 0 0.5
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0053517 0.0632988 0.644834
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0053517 0.0632988 0.0632988
Toxoplasma gondii hypothetical protein 0.0053517 0.0632988 0.644834
Schistosoma mansoni sodium/chloride dependent transporter 0.0053517 0.0632988 0.0632988
Echinococcus multilocularis sodium and chloride dependent glycine 0.0053517 0.0632988 0.0632988
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0053517 0.0632988 1
Giardia lamblia NADPH oxidoreductase, putative 0.011014 0.265934 0.5
Loa Loa (eye worm) methionine aminopeptidase type I 0.00632592 0.0981629 0.0372201
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0053517 0.0632988 0.0632988
Loa Loa (eye worm) norepinephrine transporter 0.0315264 1 1
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.00358291 0 0.5
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.00632592 0.0981629 0.5
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0053517 0.0632988 0.0632988
Trichomonas vaginalis conserved hypothetical protein 0.011014 0.265934 1
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.00632592 0.0981629 0.0372201
Trichomonas vaginalis conserved hypothetical protein 0.011014 0.265934 1
Plasmodium vivax amine transporter, putative 0.0053517 0.0632988 0.644834
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.00632592 0.0981629 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0053517 0.0632988 0.0632988
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0315264 1 1
Loa Loa (eye worm) hypothetical protein 0.0315264 1 1
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0053517 0.0632988 0.0632988
Trichomonas vaginalis conserved hypothetical protein 0.011014 0.265934 1
Treponema pallidum sodium- and chloride- dependent transporter 0.0315264 1 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0053517 0.0632988 0.0632988
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0053517 0.0632988 0.0632988
Schistosoma mansoni sodium/chloride dependent transporter 0.0315264 1 1
Plasmodium vivax hypothetical protein, conserved 0.0053517 0.0632988 0.644834
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) 0.00358291 0 0.5
Plasmodium vivax methionine aminopeptidase 1b, putative 0.00632592 0.0981629 1
Trypanosoma brucei methionine aminopeptidase, putative 0.00632592 0.0981629 0.5
Schistosoma mansoni sodium-dependent amino acid transporter 0.0053517 0.0632988 0.0632988
Mycobacterium ulcerans methionine aminopeptidase MapB 0.00358291 0 0.5
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0053517 0.0632988 0.0632988
Trichomonas vaginalis conserved hypothetical protein 0.011014 0.265934 1
Giardia lamblia NADPH oxidoreductase, putative 0.011014 0.265934 0.5
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0053517 0.0632988 0.0632988
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.00632592 0.0981629 0.5
Loa Loa (eye worm) hypothetical protein 0.0315264 1 1
Trichomonas vaginalis conserved hypothetical protein 0.011014 0.265934 1
Onchocerca volvulus 0.0315264 1 1
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.011014 0.265934 1
Toxoplasma gondii hypothetical protein 0.0053517 0.0632988 0.644834
Mycobacterium ulcerans methionine aminopeptidase 0.00358291 0 0.5
Echinococcus multilocularis serotonin transporter 0.0315264 1 1
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.00358291 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.011014 0.265934 1
Loa Loa (eye worm) solute carrier family 6 member 4 0.0315264 1 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0053517 0.0632988 0.644834
Trichomonas vaginalis conserved hypothetical protein 0.011014 0.265934 1
Trichomonas vaginalis conserved hypothetical protein 0.011014 0.265934 1
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.00632592 0.0981629 0.5
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.00358291 0 0.5
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0053517 0.0632988 0.0632988
Brugia malayi Methionine aminopeptidase protein type I 0.00632592 0.0981629 0.0372201
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.00632592 0.0981629 0.5
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.00632592 0.0981629 0.0981629
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.00632592 0.0981629 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.1 uM Inhibition of human recombinant full-length cytosolic METAP1 expressed in Escherichia coli BL21(DE3) using Met-Pro-p-nitroanilide as substrate after 20 mins by spectrophotometric analysis in presence of Bacillus coagulans GST-tagged proline iminopeptidase ChEMBL. 23507151
IC50 (functional) = 7.5 uM Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 ChEMBL. 19091562
IC50 (binding) > 100 uM Inhibition of human recombinant GST-6XHis-tagged full-length cytosolic METAP2 expressed in cabbage looper BTI-TN-5B1-4 cells using Met-Pro-p-nitroanilide as substrate after 20 mins by spectrophotometric analysis in presence of Bacillus coagulans GST-tagged proline iminopeptidase ChEMBL. 23507151
IC50 (functional) = 156 uM Antileishmanial activity against Leishmania donovani ChEMBL. 19091562

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 19091562

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.