Detailed information for compound 1600136

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 387.259 | Formula: C20H16Cl2N2O2
  • H donors: 0 H acceptors: 2 LogP: 4.92 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)n1nc2c(c1c1ccc(c(c1)Cl)Cl)C(=O)CCC2
  • InChi: 1S/C20H16Cl2N2O2/c1-26-14-8-6-13(7-9-14)24-20(12-5-10-15(21)16(22)11-12)19-17(23-24)3-2-4-18(19)25/h5-11H,2-4H2,1H3
  • InChiKey: UDQZXQSIYUGACM-UHFFFAOYSA-N  

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
Schistosoma mansoni glycogen phosphorylase 0.0913 0.3426 0.3426
Loa Loa (eye worm) carboxylesterase 0.0359 0.1138 0.1335
Leishmania major diacylglycerol acyltransferase, putative 0.2148 0.8527 1
Leishmania major hypothetical protein, unknown function,protein, unknown function 0.0476 0.1621 0.1901
Brugia malayi carbohydrate phosphorylase 0.0913 0.3426 0.4018
Echinococcus granulosus carboxylesterase 5A 0.0359 0.1138 0.1478
Schistosoma mansoni glycogen phosphorylase 0.0395 0.1286 0.1286
Entamoeba histolytica glycogen phosphorylase, putative 0.0913 0.3426 1
Echinococcus multilocularis carboxylesterase 5A 0.0359 0.1138 0.1478
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0204 0.0499 0.0647
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0204 0.0499 0.0499
Entamoeba histolytica glycogen phosphorylase, putative 0.0395 0.1286 0.3753
Echinococcus granulosus glycogen phosphorylase 0.0913 0.3426 0.4447
Echinococcus multilocularis acetylcholinesterase 0.0359 0.1138 0.1478
Trypanosoma cruzi diacylglycerol acyltransferase, putative 0.0476 0.1621 0.1901
Trypanosoma cruzi diacylglycerol acyltransferase, putative 0.0476 0.1621 0.1901
Entamoeba histolytica glycogen phosphorylase, putative 0.0395 0.1286 0.3753
Echinococcus multilocularis Glycosyl transferase, family 35 0.0913 0.3426 0.4447
Echinococcus granulosus acetylcholinesterase 0.0359 0.1138 0.1478
Brugia malayi Protein-tyrosine phosphatase containing protein 0.195 0.7705 0.9037
Giardia lamblia Glycogen phosphorylase 0.0913 0.3426 1
Trypanosoma cruzi diacylglycerol acyltransferase, putative 0.2148 0.8527 1
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.2148 0.8527 0.8527
Trypanosoma cruzi diacylglycerol acyltransferase, putative 0.2148 0.8527 1
Loa Loa (eye worm) diacylglycerol acyltransferase 0.2148 0.8527 1
Brugia malayi Carboxylesterase family protein 0.0359 0.1138 0.1335
Toxoplasma gondii dgat2l1-prov protein 0.2148 0.8527 1
Trypanosoma brucei diacylglycerol acyltransferase, putative 0.2148 0.8527 1
Loa Loa (eye worm) glycogen phosphorylase 0.0913 0.3426 0.4018
Brugia malayi diacylglycerol acyltransferase family protein 0.2148 0.8527 1
Echinococcus granulosus glycogen phosphorylase 0.0913 0.3426 0.4447
Trypanosoma brucei RNA helicase, putative 0.0222 0.057 0.0669
Trypanosoma brucei diacylglycerol acyltransferase, putative 0.0476 0.1621 0.1901
Trichomonas vaginalis glycogen phosphorylase, putative 0.0913 0.3426 1
Mycobacterium ulcerans hypothetical protein 0.0476 0.1621 1
Echinococcus granulosus acetylcholinesterase 0.0359 0.1138 0.1478
Entamoeba histolytica glycogenphosphorylase, putative 0.0395 0.1286 0.3753
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0359 0.1138 0.1138
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0204 0.0499 0.0647
Trypanosoma cruzi diacylglycerol acyltransferase, putative 0.0476 0.1621 0.1901
Loa Loa (eye worm) acetylcholinesterase 1 0.0359 0.1138 0.1335
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.195 0.7705 1
Schistosoma mansoni hypothetical protein 0.0476 0.1621 0.1621
Trypanosoma cruzi diacylglycerol acyltransferase, putative 0.0476 0.1621 0.1901
Onchocerca volvulus 0.2148 0.8527 1
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0204 0.0499 0.0647
Echinococcus multilocularis glycogen phosphorylase 0.0913 0.3426 0.4447
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0204 0.0499 0.0585
Entamoeba histolytica glycogen phosphorylase, putative 0.0913 0.3426 1
Chlamydia trachomatis glycogen phosphorylase 0.0913 0.3426 0.5
Loa Loa (eye worm) hypothetical protein 0.0359 0.1138 0.1335
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.195 0.7705 0.7705
Echinococcus multilocularis glycogen phosphorylase 0.0913 0.3426 0.4447
Leishmania major diacylglycerol acyltransferase, putative 0.0476 0.1621 0.1901
Echinococcus granulosus Glycosyl transferase family 35 0.0913 0.3426 0.4447
Echinococcus multilocularis acetylcholinesterase 0.0359 0.1138 0.1478
Loa Loa (eye worm) hypothetical protein 0.0359 0.1138 0.1335
Leishmania major diacylglycerol acyltransferase, putative 0.0476 0.1621 0.1901
Loa Loa (eye worm) protein-tyrosine phosphatase 0.195 0.7705 0.9037
Schistosoma mansoni diacylglycerol O-acyltransferase 0.0476 0.1621 0.1621
Brugia malayi Carboxylesterase family protein 0.0359 0.1138 0.1335
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0204 0.0499 0.0585
Schistosoma mansoni hypothetical protein 0.0222 0.057 0.057
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0456 0.1536 0.1536
Schistosoma mansoni diacylglycerol O-acyltransferase 0.0476 0.1621 0.1621
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.195 0.7705 1
Trichomonas vaginalis glycogen phosphorylase, putative 0.0913 0.3426 1
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0395 0.1286 0.5
Schistosoma mansoni glycogen phosphorylase 0.0913 0.3426 0.3426
Onchocerca volvulus Glycogen phosphorylase homolog 0.0913 0.3426 0.4018
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0204 0.0499 0.0647

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 150 uM Inhibition of His6-tagged c-Src kinase domain using AEEEIYGEFEAKKKK as substrate pre-incubated for 10 mins before substrate addition measured after 30 mins by Transcreener ADP2 FI Assay ChEMBL. 22119472

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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