Detailed information for compound 763336

Basic information

Technical information
  • TDR Targets ID: 763336
  • Name: 5-[[5-(4-chlorophenyl)-7-(4-methylphenyl)-1,7 -dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl ]amino]-5-oxopentanoic acid
  • MW: 451.905 | Formula: C23H22ClN5O3
  • H donors: 3 H acceptors: 5 LogP: 4.05 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1nn2c(n1)NC(=CC2c1ccc(cc1)C)c1ccc(cc1)Cl)CCCC(=O)O
  • InChi: 1S/C23H22ClN5O3/c1-14-5-7-16(8-6-14)19-13-18(15-9-11-17(24)12-10-15)25-23-27-22(28-29(19)23)26-20(30)3-2-4-21(31)32/h5-13,19H,2-4H2,1H3,(H,31,32)(H2,25,26,27,28,30)
  • InChiKey: UHOIDCMOFOJFLY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-[[5-(4-chlorophenyl)-7-(4-methylphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]-5-oxo-pentanoic acid
  • 5-[[5-(4-chlorophenyl)-7-(4-methylphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]-5-keto-valeric acid
  • STK111807

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
Schistosoma mansoni tar DNA-binding protein 0.0129 0.1383 0.1365
Echinococcus multilocularis chromobox protein 1 0.007 0.0572 0.0553
Echinococcus multilocularis tumor protein p63 0.0334 0.4185 0.4173
Schistosoma mansoni tar DNA-binding protein 0.0129 0.1383 0.1365
Loa Loa (eye worm) TAR-binding protein 0.0129 0.1383 0.3157
Schistosoma mansoni chromobox protein 0.007 0.0572 0.0553
Echinococcus granulosus chromobox protein 1 0.007 0.0572 0.0553
Plasmodium vivax macrophage migration inhibitory factor, putative 0.0345 0.4336 1
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0147 0.1634 0.3738
Echinococcus granulosus tar DNA binding protein 0.0129 0.1383 0.1365
Trichomonas vaginalis chromobox protein, putative 0.007 0.0572 0.132
Brugia malayi Heterochromatin protein 1 0.007 0.0572 0.1278
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0104 0.0194
Loa Loa (eye worm) hypothetical protein 0.0039 0.0155 0.0312
Schistosoma mansoni chromobox protein 0.007 0.0572 0.0553
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0196 0.0451
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0155 0.0358
Schistosoma mansoni jumonji domain containing protein 0.0076 0.0656 0.0637
Onchocerca volvulus 0.0049 0.0291 0.163
Onchocerca volvulus 0.0151 0.1681 1
Echinococcus multilocularis microtubule associated protein 2 0.076 1 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0304 0.0657
Schistosoma mansoni microtubule-associated protein tau 0.076 1 1
Onchocerca volvulus 0.0031 0.004 0.012
Brugia malayi chromobox protein homolog 3 0.0039 0.0155 0.0312
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0196 0.0451
Loa Loa (eye worm) hypothetical protein 0.0049 0.0291 0.0627
Loa Loa (eye worm) RNA binding protein 0.0129 0.1383 0.3157
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0104 0.0084
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.0345 0.4336 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0196 0.1055
Leishmania major macrophage migration inhibitory factor-like protein 0.0345 0.4336 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0104 0.0084
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0095 0.0924 0.0905
Loa Loa (eye worm) hypothetical protein 0.0031 0.004 0.0046
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.0291 0.0271
Schistosoma mansoni tar DNA-binding protein 0.0129 0.1383 0.1365
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0155 0.0358
Echinococcus granulosus tumor protein p63 0.0334 0.4185 0.4173
Echinococcus granulosus chromobox protein 1 0.007 0.0572 0.0553
Loa Loa (eye worm) heterochromatin protein 1 0.007 0.0572 0.1278
Schistosoma mansoni tar DNA-binding protein 0.0129 0.1383 0.1365
Brugia malayi jmjC domain containing protein 0.0095 0.0924 0.2093
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0104 0.0084
Brugia malayi RNA recognition motif domain containing protein 0.0129 0.1383 0.3157
Plasmodium falciparum macrophage migration inhibitory factor 0.0345 0.4336 1
Brugia malayi jmjC domain containing protein 0.0035 0.0104 0.0194
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0147 0.1634 0.3738
Leishmania major macrophage migration inhibitory factor-like protein 0.0345 0.4336 0.5
Echinococcus granulosus jumonji domain containing protein 0.004 0.0176 0.0156
Trichomonas vaginalis conserved hypothetical protein 0.0345 0.4336 1
Echinococcus multilocularis tar DNA binding protein 0.0129 0.1383 0.1365
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0443 0.098
Brugia malayi Bm-MIF-1, identical 0.0345 0.4336 1
Loa Loa (eye worm) macrophage migration inhibitory factor 0.0345 0.4336 1
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0176 0.0156
Giardia lamblia Macrophage migration inhibitory factor 0.0345 0.4336 1
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.0345 0.4336 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0104 0.0084
Loa Loa (eye worm) hypothetical protein 0.0151 0.1681 0.3848
Brugia malayi hypothetical protein 0.0151 0.1681 0.3848
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.0155 0.0812
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0129 0.1383 0.3157
Trichomonas vaginalis chromobox protein, putative 0.007 0.0572 0.132
Brugia malayi TAR-binding protein 0.0129 0.1383 0.3157
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0095 0.0924 0.0905
Brugia malayi RNA binding protein 0.0129 0.1383 0.3157
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.0345 0.4336 0.5
Schistosoma mansoni tar DNA-binding protein 0.0129 0.1383 0.1365
Echinococcus multilocularis chromobox protein 1 0.007 0.0572 0.0553

Activities

No activities found for this compound.

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

No literature references available for this target.

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