Detailed information for compound 111932

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 614.336 | Formula: C20H16Cl2N2O4Pt
  • H donors: 2 H acceptors: 2 LogP: 5.19 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=c1cc(C)c2c(o1)cc(cc2)N[Pt](Nc1ccc2c(c1)oc(=O)cc2C)(Cl)Cl
  • InChi: 1S/2C10H9NO2.2ClH.Pt/c2*1-6-4-10(12)13-9-5-7(11)2-3-8(6)9;;;/h2*2-5H,1H3,(H2,11,12);2*1H;/q;;;;+4/p-4
  • InChiKey: CTGUIMOEFGUJMD-UHFFFAOYSA-J  


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
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0017 0.5
Mycobacterium ulcerans glutaminase 0.056 0.9695 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0249 0.0257
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0383 0.6425 0.6425
Loa Loa (eye worm) mbt repeat family protein 0.0097 0.1147 0.1183
Echinococcus granulosus SAM and MBT domain containing protein 0.0097 0.1147 0.1147
Echinococcus multilocularis polycomb protein SCMH1 0.0118 0.1524 0.1524
Echinococcus multilocularis acetylcholinesterase 0.0133 0.1818 0.1818
Echinococcus multilocularis SAM and MBT domain containing protein 0.0097 0.1147 0.1147
Giardia lamblia Fructose-bisphosphate aldolase 0.0283 0.4585 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0249 0.0257
Echinococcus multilocularis acetylcholinesterase 0.0133 0.1818 0.1818
Echinococcus multilocularis neuropeptide s receptor 0.0463 0.7898 0.7898
Brugia malayi Carboxylesterase family protein 0.0133 0.1818 0.1875
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.4585 0.4729
Brugia malayi mbt repeat family protein 0.0097 0.1147 0.1183
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0577 1 1
Schistosoma mansoni alpha-glucosidase 0.0136 0.1863 0.1922
Schistosoma mansoni alpha-glucosidase 0.0136 0.1863 0.1922
Loa Loa (eye worm) hypothetical protein 0.0049 0.0249 0.0257
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0017 1
Schistosoma mansoni sex comb on midleg homolog 0.0118 0.1524 0.1571
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.4585 0.4729
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0283 0.4585 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0017 0.0017
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0283 0.4585 1
Echinococcus multilocularis carboxylesterase 5A 0.0133 0.1818 0.1818
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.227 0.227
Brugia malayi Inositol-1 0.0036 0.0017 0.0017
Loa Loa (eye worm) acetylcholinesterase 1 0.0133 0.1818 0.1875
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0017 0.0017
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0017 0.0017
Onchocerca volvulus 0.0118 0.1524 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0017 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0158 0.227 0.227
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0249 0.0257
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0383 0.6425 0.6425
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.4585 0.4729
Schistosoma mansoni inositol monophosphatase 0.0036 0.0017 0.0017
Echinococcus multilocularis neuropeptide receptor A26 0.0463 0.7898 0.7898
Brugia malayi Glycosyl hydrolases family 31 protein 0.0158 0.227 0.2341
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0097 0.1147 0.2223
Schistosoma mansoni sex comb on midleg homolog 0.0118 0.1524 0.1571
Schistosoma mansoni hypothetical protein 0.048 0.8219 0.8478
Schistosoma mansoni glutaminase 0.056 0.9695 1
Loa Loa (eye worm) glutaminase 2 0.056 0.9695 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0097 0.1147 0.1183
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0017 1
Echinococcus granulosus acetylcholinesterase 0.0133 0.1818 0.1818
Echinococcus granulosus neuropeptide receptor A26 0.0463 0.7898 0.7898
Schistosoma mansoni hypothetical protein 0.0321 0.5283 0.5449
Echinococcus granulosus tumor suppressor p53 binding protein 1 0.0321 0.5283 0.5283
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.4585 0.4729
Loa Loa (eye worm) glutaminase 0.056 0.9695 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0138 0.1909 0.5
Loa Loa (eye worm) hypothetical protein 0.0133 0.1818 0.1875
Brugia malayi mbt repeat family protein 0.0097 0.1147 0.1183
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0138 0.1909 0.1955
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0097 0.1147 0.1183
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.227 0.227
Trichomonas vaginalis glutaminase, putative 0.056 0.9695 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.4585 0.4729
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0138 0.1909 0.5
Loa Loa (eye worm) carboxylesterase 0.0133 0.1818 0.1875
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0017 0.0017
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0017 1
Treponema pallidum fructose-bisphosphate aldolase 0.0283 0.4585 0.5
Brugia malayi Carboxylesterase family protein 0.0133 0.1818 0.1875
Echinococcus granulosus carboxylesterase 5A 0.0133 0.1818 0.1818
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0017 0.0036
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.4585 0.4729
Echinococcus granulosus neuropeptide s receptor 0.0463 0.7898 0.7898
Loa Loa (eye worm) inositol-1 0.0036 0.0017 0.0017
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.4585 0.4729
Echinococcus granulosus acetylcholinesterase 0.0133 0.1818 0.1818
Echinococcus multilocularis tumor suppressor p53 binding protein 1 0.0321 0.5283 0.5283
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.4585 0.4729
Brugia malayi glutaminase DH11.1 0.056 0.9695 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0133 0.1818 0.1875
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0158 0.227 0.2341
Schistosoma mansoni inositol monophosphatase 0.0036 0.0017 0.0017
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0017 1
Echinococcus granulosus polycomb protein SCMH1 0.0118 0.1524 0.1524
Loa Loa (eye worm) hypothetical protein 0.0133 0.1818 0.1875

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 80 ug ml-1 Compound was tested in vitro for its cytotoxic activity against Caco-2T cells in MTT assay and activity is expressed as IC50 ChEMBL. No reference
IC80 (functional) = 30 ug ml-1 Compound was tested in vitro for its cytotoxic activity against Caco-2T cells in MTT assay and activity is expressed as IC80 ChEMBL. No reference

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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