Detailed information for compound 454449

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 264.322 | Formula: C17H16N2O
  • H donors: 2 H acceptors: 1 LogP: 2.85 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)Cc1c[nH]c2c1cc(cc2)c1ccc(cc1)C
  • InChi: 1S/C17H16N2O/c1-11-2-4-12(5-3-11)13-6-7-16-15(8-13)14(10-19-16)9-17(18)20/h2-8,10,19H,9H2,1H3,(H2,18,20)
  • InChiKey: GOTGFQBLPAMWMQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0066 0.4016 0.3937
Loa Loa (eye worm) hypothetical protein 0.0046 0.2479 0.2479
Echinococcus multilocularis Polycystic kidney disease protein 0.0019 0.0359 0.0232
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH1 0.0066 0.4016 1
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0066 0.4016 1
Onchocerca volvulus 0.0035 0.1576 1
Plasmodium falciparum glyceraldehyde-3-phosphate dehydrogenase 0.0066 0.4016 1
Brugia malayi phospholipase C homolog 0.0026 0.0853 0.0853
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.2237 0.4726
Schistosoma mansoni phospholipase C-like protein 2 plc-L2 0.0026 0.0853 0.0513
Echinococcus granulosus RUN 0.0019 0.0359 0.0243
Loa Loa (eye worm) hypothetical protein 0.0046 0.2414 0.2414
Mycobacterium tuberculosis Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0023 0.0647 0.5
Plasmodium vivax ubiquitin activating enzyme, putative 0.0046 0.2414 0.6012
Chlamydia trachomatis glyceraldehyde-3-phosphate dehydrogenase 0.0066 0.4016 0.5
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.2237 0.2236
Schistosoma mansoni CREB-binding protein 2 0.0102 0.6828 0.671
Toxoplasma gondii hypothetical protein 0.0046 0.2414 0.5943
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0066 0.4016 1
Loa Loa (eye worm) Plcb4 protein 0.0034 0.1508 0.1508
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0066 0.4016 1
Onchocerca volvulus 0.0035 0.1576 1
Echinococcus granulosus 1-Phosphatidylinositol-4,5-bisphosphate phosphodiesterase beta-4 0.0035 0.1576 0.1534
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0359 0.0232
Mycobacterium ulcerans glyceraldehyde 3-phosphate dehydrogenase Gap 0.0066 0.4016 0.5
Brugia malayi Variant SH3 domain containing protein 0.0106 0.7135 0.7135
Echinococcus granulosus CREB binding protein 0.0065 0.3881 0.398
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.1833 0.4565
Wolbachia endosymbiont of Brugia malayi glyceraldehyde-3-phosphate dehydrogenase, GapA 0.0066 0.4016 0.5
Mycobacterium leprae Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0023 0.0647 0.5
Brugia malayi Phosphatidylinositol-specific phospholipase C, X domain containing protein 0.0015 0.0068 0.0068
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0066 0.4016 0.3937
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0066 0.4016 0.3793
Plasmodium falciparum SUMO-activating enzyme subunit 1 0.0046 0.2414 0.6012
Plasmodium vivax glyceraldehyde-3-phosphate dehydrogenase, putative 0.0066 0.4016 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0143 1 1
Echinococcus granulosus SUMO activating enzyme subunit 1 0.0046 0.2414 0.2423
Schistosoma mansoni sumo-1-activating enzyme E1a 0.0046 0.2414 0.2132
Schistosoma mansoni phospholipase C beta 0.0034 0.1508 0.1192
Schistosoma mansoni CREB-binding protein 1 (SmCBP1) 0.0102 0.6828 0.671
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0066 0.4016 0.4122
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0066 0.4016 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0066 0.4016 1
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0043 0.2241 0.2139
Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase, putative 0.0043 0.2238 0.5497
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.2237 0.4726
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.0066 0.4016 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0066 0.4016 1
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.0043 0.2241 0.2241
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0115 0.7781 0.8116
Echinococcus multilocularis CREB binding protein 0.0071 0.4412 0.4339
Loa Loa (eye worm) hypothetical protein 0.0019 0.0359 0.0359
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0359 0.0243
Loa Loa (eye worm) hypothetical protein 0.0035 0.1576 0.1576
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.2237 0.5572
Brugia malayi 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase beta 4 0.0034 0.1508 0.1508
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0066 0.4016 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.2237 0.5495
Echinococcus multilocularis SUMO activating enzyme subunit 1 0.0046 0.2414 0.2315
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH2 0.0066 0.4016 1
Brugia malayi glyceraldehyde 3-phosphate dehydrogenase 0.0021 0.0463 0.0463
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0066 0.4016 1
Brugia malayi hypothetical protein 0.0019 0.0359 0.0359
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0359 0.0243
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0106 0.7135 0.7135
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0066 0.4016 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative 0.0021 0.0463 0.1002
Loa Loa (eye worm) hypothetical protein 0.0035 0.1576 0.1576
Loa Loa (eye worm) CBP-B 0.0072 0.4479 0.4479
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0021 0.0463 0.1002
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0066 0.4016 0.3793
Leishmania major glyceraldehyde-3-phosphate dehydrogenase-like protein 0.0043 0.2238 0.5574
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0066 0.4016 0.3793
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative 0.0021 0.0463 0.1002
Echinococcus multilocularis RUN 0.0019 0.0359 0.0232
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0359 0.0232
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0066 0.4016 1
Loa Loa (eye worm) doublecortin family protein 0.0019 0.0359 0.0359
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.0023 0.0644 0.0644
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0066 0.4016 0.4122
Brugia malayi Doublecortin family protein 0.0019 0.0359 0.0359
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.0066 0.4016 0.4016
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0046 0.2421 0.2421
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0066 0.4016 1
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0046 0.2421 0.2421
Plasmodium vivax multidomain scavenger receptor, putative 0.0019 0.0359 0.0894
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0066 0.4016 1
Brugia malayi ThiF family protein 0.0046 0.2414 0.2414
Schistosoma mansoni sumo-1-activating enzyme E1a 0.0043 0.219 0.19
Echinococcus granulosus Polycystic kidney disease protein 0.0019 0.0359 0.0243
Schistosoma mansoni lipoxygenase 0.008 0.5099 0.4917
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0043 0.2241 0.2239
Schistosoma mansoni lipoxygenase 0.0115 0.7781 0.7698
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.0043 0.2241 0.2241
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0066 0.4016 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0021 0.0463 0.1002
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0066 0.4016 1
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0066 0.4016 1
Brugia malayi hypothetical protein 0.0019 0.0359 0.0359
Echinococcus multilocularis 1 phosphatidylinositol 4,5 bisphosphate 0.0035 0.1576 0.1465
Plasmodium falciparum LCCL domain-containing protein 0.0019 0.0359 0.0894
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, cytosolic 0.0066 0.4016 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0138 0.9557 1
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.0043 0.2238 0.5497
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0043 0.2241 0.4737
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0021 0.0463 0.1002
Loa Loa (eye worm) hypothetical protein 0.0019 0.0359 0.0359
Treponema pallidum glyceraldehyde 3-phosphate dehydrogenase (gap) 0.0066 0.4016 0.5
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0066 0.4016 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.2237 0.5495
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0115 0.7781 0.7752
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0143 1 1
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0066 0.4016 0.3793
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0043 0.2241 0.4737
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0066 0.4016 1
Brugia malayi TAZ zinc finger family protein 0.0102 0.6828 0.6828
Loa Loa (eye worm) phosphatidylinositol-specific phospholipase C 0.0015 0.0068 0.0068
Echinococcus granulosus CREB binding protein 0.0102 0.6828 0.7106
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0066 0.4016 1
Leishmania major phospholipase c-like protein 0.0015 0.0068 0.0169
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.0043 0.2238 0.1855
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0066 0.4016 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.2241 0.2241
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.0043 0.2238 0.5497
Loa Loa (eye worm) acetyltransferase 0.0143 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4 Inhibition of ICMT expressed in Sf9 cells ChEMBL. 17157012
Log IC50 (binding) = 4 Inhibition of ICMT expressed in Sf9 cells ChEMBL. 17157012

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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