Detailed information for compound 204573

Basic information

Technical information
  • TDR Targets ID: 204573
  • Name: 3-(2-methylsulfanylpyrimidin-4-yl)-2-phenylim idazo[1,2-a]pyrimidin-7-amine
  • MW: 334.398 | Formula: C17H14N6S
  • H donors: 1 H acceptors: 4 LogP: 3.25 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1nccc(n1)c1c(nc2n1ccc(n2)N)c1ccccc1
  • InChi: 1S/C17H14N6S/c1-24-17-19-9-7-12(20-17)15-14(11-5-3-2-4-6-11)22-16-21-13(18)8-10-23(15)16/h2-10H,1H3,(H2,18,21,22)
  • InChiKey: WYGVFMIQQCLMNX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(2-methylsulfanylpyrimidin-4-yl)-2-phenyl-imidazo[1,2-a]pyrimidin-7-amine
  • 3-[2-(methylthio)-4-pyrimidinyl]-2-phenyl-7-imidazo[1,2-a]pyrimidinamine
  • [3-[2-(methylthio)pyrimidin-4-yl]-2-phenyl-imidazo[1,2-a]pyrimidin-7-yl]amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mitogen-activated protein kinase 11 References
Homo sapiens mitogen-activated protein kinase 13 Starlite/ChEMBL References
Mus musculus mitogen-activated protein kinase 14 Starlite/ChEMBL References
Homo sapiens mitogen-activated protein kinase 12 References
Homo sapiens mitogen-activated protein kinase 14 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04441 p38 MAP kinase, putative Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma brucei gambiense mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania braziliensis mitogen-activated protein kinase 3, putative,map kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus multilocularis mitogen activated protein kinase 14 Get druggable targets OG5_128610 All targets in OG5_128610
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus multilocularis mitogen activated protein kinase 11 Get druggable targets OG5_128610 All targets in OG5_128610
Candida albicans MAP kinase involved in osmoregulation Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma cruzi mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus multilocularis mitogen activated protein kinase 14 Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus granulosus mitogen activated protein kinase 14 Get druggable targets OG5_128610 All targets in OG5_128610
Candida albicans MAP kinase involved in osmoregulation Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma cruzi mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania infantum mitogen-activated protein kinase 3, putative,map kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Brugia malayi P38 map kinase family protein 2 Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania mexicana mitogen-activated protein kinase 3, putative,map kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania donovani mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma congolense mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma brucei mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus granulosus mitogen activated protein kinase 11 Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus multilocularis mitogen activated protein kinase 11 Get druggable targets OG5_128610 All targets in OG5_128610
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 11 364 aa 361 aa 33.0 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 14 360 aa 336 aa 33.3 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 13 365 aa 366 aa 30.1 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 12 357 aa 362 aa 30.1 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 14 360 aa 336 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi multidrug resistance protein E, putative 0.0135 0.1344 0.1795
Loa Loa (eye worm) hypothetical protein 0.0134 0.1329 0.1329
Echinococcus multilocularis multidrug resistance associated protein 1 0.0135 0.1344 0.1753
Echinococcus multilocularis multidrug resistance associated protein 4 0.0104 0.0937 0.1223
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0031 0 0.5
Trichomonas vaginalis ABC transporter, putative 0.0031 0 0.5
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0031 0 0.5
Echinococcus granulosus potassium voltage gated channel subfamily A 0.0623 0.7666 1
Mycobacterium tuberculosis Probable drugs-transport transmembrane ATP-binding protein ABC transporter 0.0031 0 0.5
Plasmodium falciparum multidrug resistance protein 2 0.0031 0 0.5
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0609 0.7486 1
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0609 0.7486 0.7486
Entamoeba histolytica ATP-binding cassette protein, putative 0.0135 0.1344 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0031 0 0.5
Entamoeba histolytica ATP-binding cassette protein, putative 0.0135 0.1344 1
Trypanosoma cruzi hypothetical protein 0.0104 0.0937 0.1252
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0031 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0803 1 1
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0135 0.1344 0.1795
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0135 0.1344 0.1795
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0609 0.7486 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0031 0 0.5
Echinococcus granulosus multidrug resistance associated protein 4 0.0104 0.0937 0.1223
Brugia malayi multidrug resistance related protein 1 0.0135 0.1344 0.1753
Echinococcus multilocularis mitogen activated protein kinase 14 0.0609 0.7486 0.9766
Loa Loa (eye worm) multidrug resistance-associated protein 0.0105 0.0952 0.0952
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.0051 0.0251 0.0327
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0031 0 0.5
Echinococcus granulosus multidrug resistance associated protein 7 0.0135 0.1344 0.1753
Echinococcus multilocularis potassium voltage gated channel protein 0.0051 0.0251 0.0327
Schistosoma mansoni multidrug resistance protein 0.0135 0.1344 0.1753
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0031 0 0.5
Plasmodium vivax ABC transporter B family member 4, putative 0.0031 0 0.5
Giardia lamblia Multidrug resistance-associated protein 1 0.0135 0.1344 1
Plasmodium vivax ABC transporter B family member 3, putative 0.0031 0 0.5
Trichomonas vaginalis abcb9, putative 0.0031 0 0.5
Plasmodium falciparum multidrug resistance protein 1 0.0031 0 0.5
Plasmodium vivax multidrug resistance-associated protein 2, putative 0.0031 0 0.5
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0031 0 0.5
Echinococcus multilocularis transfer RNA-Gly 0.0051 0.0251 0.0327
Echinococcus granulosus potassium voltage gated channel subfamily C 0.0051 0.0251 0.0327
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0609 0.7486 1
Brugia malayi Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit 0.0623 0.7666 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0031 0 0.5
Plasmodium vivax ABC transporter B family member 5, putative 0.0031 0 0.5
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0031 0 0.5
Plasmodium vivax multidrug resistance protein 2, putative 0.0031 0 0.5
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0031 0 0.5
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0135 0.1344 0.1344
Toxoplasma gondii hypothetical protein 0.0803 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0623 0.7666 1
Loa Loa (eye worm) hypothetical protein 0.0803 1 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.1344 0.1344
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0803 1 1
Echinococcus granulosus potassium voltage gated channel protein 0.0051 0.0251 0.0327
Giardia lamblia Multidrug resistance-associated protein 1 0.0135 0.1344 1
Echinococcus multilocularis potassium voltage gated channel subfamily A 0.0596 0.7313 0.954
Echinococcus granulosus multidrug resistance associated protein 1 0.0135 0.1344 0.1753
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit 0.0051 0.0251 0.0327
Trypanosoma brucei multidrug resistance protein E 0.0135 0.1344 0.1795
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0031 0 0.5
Echinococcus multilocularis multidrug resistance associated protein 7 0.0135 0.1344 0.1753
Brugia malayi Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit. C. elegans exp-2 ortholog 0.0051 0.0251 0.0327
Giardia lamblia MRP-like ABC transporter 0.0135 0.1344 1
Echinococcus granulosus potassium voltage gated channel protein 0.0623 0.7666 1
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0135 0.1344 0.1795
Echinococcus granulosus mitogen activated protein kinase 14 0.0609 0.7486 0.9766
Schistosoma mansoni multidrug resistance protein 0.0135 0.1344 0.1753
Loa Loa (eye worm) hypothetical protein 0.0623 0.7666 0.7666
Plasmodium falciparum ABC transporter B family member 3, putative 0.0031 0 0.5
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0135 0.1344 0.1795
Schistosoma mansoni voltage-gated potassium channel 0.0051 0.0251 0.0327
Plasmodium falciparum multidrug resistance-associated protein 2 0.0031 0 0.5
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0031 0 0.5
Echinococcus granulosus potassium voltage gated channel subfamily D 0.0051 0.0251 0.0327
Echinococcus multilocularis mitogen activated protein kinase 11 0.0609 0.7486 0.9766
Plasmodium vivax ABC transporter B family member 6, putative 0.0031 0 0.5
Mycobacterium tuberculosis Iron-regulated transporter IrtA 0.0031 0 0.5
Echinococcus granulosus potassium voltage gated channel protein 0.0051 0.0251 0.0327
Schistosoma mansoni multidrug resistance protein 0.0135 0.1344 0.1753
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0135 0.1344 0.1795
Entamoeba histolytica ATP-binding cassette protein, putative 0.0135 0.1344 1
Echinococcus multilocularis shaker cognate 0.0051 0.0251 0.0327
Plasmodium falciparum multidrug resistance-associated protein 1 0.0031 0 0.5
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.0609 0.7486 1
Schistosoma mansoni voltage-gated potassium channel 0.0051 0.0251 0.0327
Trichomonas vaginalis ABC transporter, putative 0.0031 0 0.5
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0031 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0135 0.1344 0.1344
Echinococcus multilocularis voltage gated potassium channel 0.0051 0.0251 0.0327
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0135 0.1344 0.1795
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.0051 0.0251 0.0327
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0031 0 0.5
Trichomonas vaginalis ABC transporter, putative 0.0031 0 0.5
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0031 0 0.5
Entamoeba histolytica multidrug resistance protein, putative 0.0135 0.1344 1
Trichomonas vaginalis abcb9, putative 0.0031 0 0.5
Plasmodium vivax multidrug resistance protein 1, putative 0.0031 0 0.5
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0031 0 0.5
Echinococcus multilocularis potassium voltage gated channel protein 0.0623 0.7666 1
Plasmodium falciparum ABC transporter B family member 7, putative 0.0031 0 0.5
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0031 0 0.5
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0031 0 0.5
Leishmania major pentamidine resistance protein 1 0.0135 0.1344 0.1795
Trichomonas vaginalis ABC transporter, putative 0.0031 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.0251 0.0251
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0031 0 0.5
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0031 0 0.5
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0135 0.1344 0.1795
Echinococcus granulosus potassium voltage gated channel subfamily D 0.0051 0.0251 0.0327
Echinococcus granulosus shaker cognate 0.0051 0.0251 0.0327
Echinococcus multilocularis mitogen activated protein kinase 14 0.0609 0.7486 0.9766
Schistosoma mansoni voltage-gated potassium channel 0.0051 0.0251 0.0327
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0031 0 0.5
Plasmodium falciparum ABC transporter B family member 6, putative 0.0031 0 0.5
Brugia malayi P38 map kinase family protein 2 0.0609 0.7486 0.9766
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0031 0 0.5
Entamoeba histolytica ABC transporter, putative 0.0135 0.1344 1
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0135 0.1344 0.1344
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0031 0 0.5
Schistosoma mansoni multidrug resistance protein 0.0135 0.1344 0.1753
Onchocerca volvulus 0.0031 0 0.5
Plasmodium falciparum ABC transporter B family member 5, putative 0.0031 0 0.5
Leishmania major ABC-thiol transporter 0.0135 0.1344 0.1795
Plasmodium vivax multidrug resistance-associated protein 1, putative 0.0031 0 0.5
Echinococcus multilocularis mitogen activated protein kinase 11 0.0609 0.7486 0.9766
Schistosoma mansoni voltage-gated potassium channel 0.0051 0.0251 0.0327
Trypanosoma brucei p-glycoprotein 0.0135 0.1344 0.1795
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0031 0 0.5
Echinococcus granulosus voltage gated potassium channel 0.0051 0.0251 0.0327
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0031 0 0.5
Mycobacterium ulcerans component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD 0.0031 0 0.5
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0031 0 0.5
Plasmodium falciparum ABC transporter B family member 4, putative 0.0031 0 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0051 0.0251 0.0327
Giardia lamblia ABC transporter, putative 0.0135 0.1344 1
Echinococcus multilocularis potassium voltage gated channel subfamily C 0.0051 0.0251 0.0327
Echinococcus granulosus Potassium voltage gated channel protein Shaw 0.0051 0.0251 0.0327
Plasmodium vivax ABC transporter B family member 7, putative 0.0031 0 0.5
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0031 0 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0051 0.0251 0.0327
Trichomonas vaginalis abcb9, putative 0.0031 0 0.5
Entamoeba histolytica hypothetical protein 0.0135 0.1344 1
Echinococcus multilocularis potassium voltage gated channel protein 0.0051 0.0251 0.0327
Leishmania major p-glycoprotein e 0.0135 0.1344 0.1795
Loa Loa (eye worm) voltage-gated potassium channel 0.0051 0.0251 0.0251
Brugia malayi ABC transporter transmembrane region family protein 0.0135 0.1344 0.1753
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0031 0 0.5
Mycobacterium ulcerans drugs-transport transmembrane ATP-binding protein ABC transporter 0.0031 0 0.5
Trichomonas vaginalis taga, putative 0.0031 0 0.5
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0135 0.1344 0.1795
Schistosoma mansoni vesicular amine transporter 0.0051 0.0251 0.0327
Entamoeba histolytica ATP-binding cassette protein, putative 0.0135 0.1344 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0031 0 0.5
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0031 0 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0623 0.7666 1
Echinococcus granulosus mitogen activated protein kinase 11 0.0609 0.7486 0.9766
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0031 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 28 nM Inhibition of LPS-induced p38-related TNF-alpha production in human peripheral blood mononuclear cells ChEMBL. 12565927
IC50 (functional) = 28 nM Inhibition of LPS-induced p38-related TNF-alpha production in human peripheral blood mononuclear cells ChEMBL. 12565927
IC50 (binding) = 457 nM Inhibition of murine p38 alpha kinase ChEMBL. 12565927
IC50 (binding) = 457 nM Inhibition of murine p38 alpha kinase ChEMBL. 12565927
Inhibition (functional) = 23 % Percentage inhibition of the compound against LPS-induced TNF-alpha production in mice at a 10 mg/kg dose ChEMBL. 12565927
Inhibition (functional) = 23 % Percentage inhibition of the compound against LPS-induced TNF-alpha production in mice at a 10 mg/kg dose ChEMBL. 12565927

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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