Detailed information for compound 152132

Basic information

Technical information
  • TDR Targets ID: 152132
  • Name: 4-(1-methylpyrrol-2-yl)-N-phenylpyrimidin-2-a mine
  • MW: 250.298 | Formula: C15H14N4
  • H donors: 1 H acceptors: 2 LogP: 2.52 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cn1cccc1c1ccnc(n1)Nc1ccccc1
  • InChi: 1S/C15H14N4/c1-19-11-5-8-14(19)13-9-10-16-15(18-13)17-12-6-3-2-4-7-12/h2-11H,1H3,(H,16,17,18)
  • InChiKey: RNLNWUJNRBUEMI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-(1-methylpyrrol-2-yl)-N-phenyl-pyrimidin-2-amine
  • 4-(1-methyl-2-pyrrolyl)-N-phenyl-2-pyrimidinamine
  • [4-(1-methylpyrrol-2-yl)pyrimidin-2-yl]-phenyl-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
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0096 0.0783 0.2356
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0284 0.3357 0.4327
Schistosoma mansoni survival motor neuron protein 0.0052 0.0178 0.0107
Brugia malayi DNA polymerase family B, exonuclease domain containing protein 0.0096 0.0783 0.2025
Trichomonas vaginalis chromobox protein, putative 0.0078 0.0535 0.1562
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0103 0.0871 0.1076
Trypanosoma cruzi DNA polymerase delta catalytic subunit, putative 0.0216 0.2431 0.3117
Echinococcus granulosus DNA polymerase alpha catalytic subunit 0.0136 0.1323 0.166
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.0168 0.0382
Echinococcus multilocularis survival motor neuron protein 1 0.0256 0.298 0.6752
Trichomonas vaginalis DNA polymerase II, putative 0.0105 0.0903 0.274
Echinococcus granulosus chromobox protein 1 0.013 0.1243 0.1415
Loa Loa (eye worm) hypothetical protein 0.0073 0.0459 0.1319
Onchocerca volvulus 0.0052 0.0178 0.0344
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0084 0.0618 0.0618
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0284 0.3357 0.3357
Leishmania major DNA polymerase epsilon catalytic subunit, putative 0.0096 0.0783 0.0961
Onchocerca volvulus DNA polymerase delta catalytic subunit homolog 0.027 0.3166 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0151 0.1528 0.229
Brugia malayi DNA polymerase alpha catalytic subunit 0.0125 0.1182 0.3361
Toxoplasma gondii DNA polymerase (pol2) superfamily protein 0.0125 0.1182 0.3636
Trypanosoma brucei polo-like protein kinase 0.0151 0.1528 0.1528
Trypanosoma cruzi DNA polymerase epsilon catalytic subunit, putative 0.0096 0.0783 0.0961
Brugia malayi chromobox protein homolog 3 0.0073 0.0459 0.0943
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0053 0.0194 0.0468
Trichomonas vaginalis DNA polymerase delta catalytic subunit, putative 0.0096 0.0783 0.2356
Echinococcus granulosus survival motor neuron protein 1 0.0256 0.298 0.6752
Plasmodium falciparum DNA polymerase epsilon catalytic subunit A, putative 0.0053 0.0194 0.0468
Schistosoma mansoni hypothetical protein 0.0052 0.0178 0.0107
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0073 0.0459 0.1254
Trypanosoma brucei RNA helicase, putative 0.0767 1 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0162 0.1689 0.5263
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0151 0.1528 0.1935
Onchocerca volvulus Serine\/threonine kinase homolog 0.0151 0.1528 0.4707
Schistosoma mansoni DNA polymerase delta catalytic subunit 0.027 0.3166 0.3117
Giardia lamblia DNA polymerase delta, catalytic subunit 0.027 0.3166 1
Trypanosoma cruzi DNA polymerase I alpha catalytic subunit, putative 0.0105 0.0903 0.1117
Loa Loa (eye worm) DNA-directed DNA polymerase III 0.027 0.3166 1
Loa Loa (eye worm) hypothetical protein 0.0156 0.1602 0.4985
Echinococcus granulosus chromobox protein 1 0.013 0.1243 0.1415
Trypanosoma cruzi DNA polymerase epsilon catalytic subunit, putative 0.0096 0.0783 0.0961
Giardia lamblia Kinase, PLK 0.0151 0.1528 0.3646
Echinococcus multilocularis chromobox protein 1 0.013 0.1243 0.1415
Onchocerca volvulus 0.0057 0.0243 0.0556
Trichomonas vaginalis CAMK family protein kinase 0.0151 0.1528 0.4746
Plasmodium falciparum DNA polymerase alpha catalytic subunit A 0.0052 0.0168 0.0384
Trypanosoma brucei DNA polymerase delta catalytic subunit, putative 0.027 0.3166 0.3166
Echinococcus granulosus DNA polymerase delta catalytic subunit 0.027 0.3166 0.7324
Trichomonas vaginalis chromobox protein, putative 0.013 0.1243 0.3833
Mycobacterium tuberculosis Conserved hypothetical protein 0.0316 0.3797 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0151 0.1528 0.4746
Schistosoma mansoni kinase 0.0076 0.0511 0.0443
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0284 0.3357 0.4327
Schistosoma mansoni chromobox protein 0.013 0.1243 0.118
Entamoeba histolytica DNA polymerase alpha catalytic subunit, putative 0.0052 0.0168 0.0384
Trypanosoma cruzi polo-like protein kinase, putative 0.0151 0.1528 0.1935
Toxoplasma gondii DNA polymerase family B protein 0.0096 0.0783 0.2356
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0151 0.1528 0.229
Trichomonas vaginalis chromobox protein, putative 0.013 0.1243 0.3833
Echinococcus multilocularis DNA polymerase alpha catalytic subunit 0.0136 0.1323 0.166
Echinococcus granulosus geminin 0.0333 0.4036 1
Schistosoma mansoni DNA polymerase epsilon catalytic subunit 0.0096 0.0783 0.0717
Trichomonas vaginalis conserved hypothetical protein 0.0073 0.0459 0.1319
Trichomonas vaginalis CAMK family protein kinase 0.0075 0.0484 0.1396
Loa Loa (eye worm) hypothetical protein 0.0256 0.298 0.9403
Toxoplasma gondii hypothetical protein 0.0097 0.0788 0.2372
Schistosoma mansoni chromobox protein 0.013 0.1243 0.118
Loa Loa (eye worm) hypothetical protein 0.0053 0.0194 0.0468
Brugia malayi serine/threonine-protein kinase plk-2 0.0151 0.1528 0.4519
Trichomonas vaginalis CAMK family protein kinase 0.0151 0.1528 0.4746
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.0168 0.0382
Echinococcus multilocularis DNA polymerase delta catalytic subunit 0.027 0.3166 0.7324
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0084 0.0618 0.0744
Echinococcus multilocularis geminin 0.0333 0.4036 1
Trichomonas vaginalis CAMK family protein kinase 0.0151 0.1528 0.4746
Plasmodium vivax DNA polymerase delta catalytic subunit, putative 0.027 0.3166 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0084 0.0618 0.0744
Trichomonas vaginalis CAMK family protein kinase 0.0151 0.1528 0.4746
Brugia malayi DNA polymerase family B containing protein 0.0096 0.0783 0.2025
Leishmania major DNA polymerase delta catalytic subunit, putative 0.027 0.3166 0.4077
Mycobacterium ulcerans hypothetical protein 0.0316 0.3797 0.5
Trypanosoma brucei DNA polymerase zeta catalytic subunit, putative 0.0096 0.0783 0.0783
Trypanosoma brucei DNA polymerase alpha catalytic subunit 0.0105 0.0903 0.0903
Trichomonas vaginalis chromobox protein, putative 0.0078 0.0535 0.1562
Toxoplasma gondii DNA polymerase 0.027 0.3166 1
Onchocerca volvulus DNA polymerase alpha catalytic subunit homolog 0.0156 0.1602 0.4948
Plasmodium vivax DNA polymerase alpha, putative 0.0125 0.1182 0.1675
Schistosoma mansoni DNA polymerase zeta catalytic subunit 0.0096 0.0783 0.0717
Brugia malayi DNA polymerase delta catalytic subunit 0.027 0.3166 1
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0105 0.0903 0.274
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0151 0.1528 0.4746
Brugia malayi hypothetical protein 0.0256 0.298 0.9378
Onchocerca volvulus DNA polymerase homolog 0.0096 0.0783 0.2299
Loa Loa (eye worm) heterochromatin protein 1 0.013 0.1243 0.3833
Schistosoma mansoni serine/threonine protein kinase 0.0151 0.1528 0.1467
Leishmania major DNA polymerase I alpha catalytic subunit, putative 0.0105 0.0903 0.1117
Trichomonas vaginalis CAMK family protein kinase 0.0151 0.1528 0.4746
Trichomonas vaginalis CAMK family protein kinase 0.0075 0.0484 0.1396
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0599 0.7694 0.7694
Giardia lamblia DNA polymerase epsilon, catalytic subunit 0.0096 0.0783 0.0754
Entamoeba histolytica DNA polymerase delta catalytic subunit, putative 0.027 0.3166 1
Onchocerca volvulus 0.0185 0.1997 0.6223
Onchocerca volvulus DNA polymerase epsilon catalytic subunit A homolog 0.0096 0.0783 0.2299
Entamoeba histolytica serine/threonine protein kinase, putative 0.0151 0.1528 0.4746
Trichomonas vaginalis set domain proteins, putative 0.0185 0.1997 0.6251
Leishmania major mitochondrial DNA polymerase beta 0.0599 0.7694 1
Trypanosoma brucei DNA polymerase epsilon catalytic subunit, putative 0.0096 0.0783 0.0783
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0084 0.0618 0.0744
Brugia malayi Pre-SET motif family protein 0.0162 0.1689 0.5058
Brugia malayi Heterochromatin protein 1 0.013 0.1243 0.3566
Loa Loa (eye worm) hypothetical protein 0.0057 0.0243 0.0626
Trichomonas vaginalis CAMK family protein kinase 0.0151 0.1528 0.4746
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0078 0.0535 0.1499
Trichomonas vaginalis DNA polymerase zeta catalytic subunit, putative 0.027 0.3166 1
Schistosoma mansoni hypothetical protein 0.0333 0.4036 0.3993
Loa Loa (eye worm) hypothetical protein 0.0053 0.0194 0.0468
Plasmodium falciparum DNA polymerase delta catalytic subunit 0.027 0.3166 1
Trypanosoma cruzi DNA polymerase delta catalytic subunit, putative 0.027 0.3166 0.4077
Trichomonas vaginalis conserved hypothetical protein 0.0073 0.0459 0.1319
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.0136 0.1323 0.1261
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0599 0.7694 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0151 0.1528 0.1935
Schistosoma mansoni hypothetical protein 0.0333 0.4036 0.3993
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0599 0.7694 1
Loa Loa (eye worm) DNA polymerase epsilon catalytic subunit 0.0053 0.0194 0.0468
Echinococcus multilocularis chromobox protein 1 0.013 0.1243 0.1415

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) ND 0 uM In vitro inhibition of histamine release from human basophils. ChEMBL. 8410986

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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