Detailed information for compound 974133

Basic information

Technical information
  • TDR Targets ID: 974133
  • Name: IDI1_032454
  • MW: 362.788 | Formula: C16H11ClN2O4S
  • H donors: 2 H acceptors: 4 LogP: 2.92 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NC(=O)c1ccccc1Cl)Nc1ccc2c(c1)S(=O)(=O)C=C2
  • InChi: 1S/C16H11ClN2O4S/c17-13-4-2-1-3-12(13)15(20)19-16(21)18-11-6-5-10-7-8-24(22,23)14(10)9-11/h1-9H,(H2,18,19,20,21)
  • InChiKey: GKADZDQTJJUSFA-UHFFFAOYSA-N  

Network

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Synonyms

  • MWP 00045
  • Maybridge4_002576
  • ZINC01040521

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens phospholipase C, gamma 2 (phosphatidylinositol-specific) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) variant SH3 domain-containing protein Get druggable targets OG5_131092 All targets in OG5_131092
Brugia malayi Variant SH3 domain containing protein Get druggable targets OG5_131092 All targets in OG5_131092

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 UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0063 0.0363 1
Onchocerca volvulus 0.0022 0.009 0.2465
Toxoplasma gondii glycosyl transferase, group 4 family protein 0.0063 0.0363 1
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0063 0.0363 1
Schistosoma mansoni phospholipase C-like protein 2 plc-L2 0.0013 0.0031 0.084
Loa Loa (eye worm) hypothetical protein 0.0022 0.009 0.0928
Brugia malayi 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase beta 4 0.0021 0.0081 0.084
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0063 0.0363 1
Brugia malayi Phosphatidylinositol-specific phospholipase C, X domain containing protein 0.0021 0.0081 0.084
Leishmania major phospholipase c-like protein 0.0022 0.009 0.2465
Trichomonas vaginalis glucosaminephosphotransferase, putative 0.0063 0.0363 1
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0154 0.0965 1
Trypanosoma brucei phosphoinositide-specific phospholipase C 0.0022 0.009 0.2465
Loa Loa (eye worm) phosphatidylinositol-specific phospholipase C 0.0022 0.009 0.0928
Echinococcus multilocularis UDP N acetylglucosamine dolichyl phosphate 0.0063 0.0363 1
Plasmodium vivax N-acetylglucosamine-1-phosphate transferase, putative 0.0063 0.0363 1
Giardia lamblia UDP-N-acetylglucosamine-dolichyl-phosphateN-acetylglucosaminephosphotransferase 0.0063 0.0363 0.5
Echinococcus granulosus UDP N acetylglucosamine dolichyl phosphate 0.0063 0.0363 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0363 0.3764
Loa Loa (eye worm) hypothetical protein 0.0022 0.009 0.0928
Brugia malayi phospholipase C homolog 0.0013 0.0031 0.0316
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.1508 1 0.5
Onchocerca volvulus 0.0063 0.0363 1
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 0.0573 0.3764 0.5
Brugia malayi Variant SH3 domain containing protein 0.0154 0.0965 1
Leishmania major phosphoinositide-specific phospholipase C, putative 0.0021 0.0081 0.2233
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 0.1508 1 0.5
Brugia malayi Phosphatidylinositol-specific phospholipase C, X domain containing protein 0.0022 0.009 0.0928
Trypanosoma brucei UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0063 0.0363 1
Schistosoma mansoni phospholipase C beta 0.0021 0.0081 0.2233
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 0.1508 1 1
Leishmania major phosphatidylinositol-specific phospholipase-like protein 0.0021 0.0081 0.2233
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0063 0.0363 1
Plasmodium falciparum UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0063 0.0363 1
Onchocerca volvulus 0.0022 0.009 0.2465
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0573 0.3764 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.0081 0.084
Leishmania major UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0063 0.0363 1
Entamoeba histolytica UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0063 0.0363 0.5
Brugia malayi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0063 0.0363 0.3764
Loa Loa (eye worm) Plcb4 protein 0.0021 0.0081 0.084

Activities

Activity type Activity value Assay description Source Reference
GC50 (binding) Inhibition of phospholipase C gamma2 in human A431 cells assessed as reduction of calcium release after 45 mins by FLIPR assay ChEMBL. 19303309
IC50 (binding) = 9.5 uM Inhibition of recombinant phospholipase C gamma2 expressed in baculovirus infected Sf9 cells using [3H]PIP2 by flashplate biochemical assay ChEMBL. 19303309

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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