Detailed information for compound 263231

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 441.303 | Formula: C24H18Cl2O4
  • H donors: 1 H acceptors: 4 LogP: 5.38 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)Cl)CC(c1ccc(cc1)C(=O)O)CC(=O)c1ccc(cc1)Cl
  • InChi: 1S/C24H18Cl2O4/c25-20-9-5-16(6-10-20)22(27)13-19(15-1-3-18(4-2-15)24(29)30)14-23(28)17-7-11-21(26)12-8-17/h1-12,19H,13-14H2,(H,29,30)
  • InChiKey: ZIPAKPMOCQRWTG-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
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0028 0.0012 0.0012
Echinococcus multilocularis cyclin dependent kinase 9 0.0154 0.1509 0.7056
Loa Loa (eye worm) CMGC/CDK/CDK9 protein kinase 0.0154 0.1509 0.1509
Leishmania major dihydroorotate dehydrogenase 0.0531 0.5972 1
Schistosoma mansoni serine/threonine kinase 0.0028 0.0012 0.0021
Entamoeba histolytica protein kinase domain containing protein 0.0154 0.1509 0.7056
Schistosoma mansoni dihydroorotate dehydrogenase 0.0531 0.5972 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0208 0.2138 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0208 0.2138 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0208 0.2138 1
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0208 0.2138 1
Giardia lamblia Kinase, CAMK CAMKL 0.0028 0.0012 0.5
Echinococcus granulosus mitogen activated protein kinase 15 0.0028 0.0012 0.0058
Echinococcus multilocularis cyclin dependent kinase 9 0.0181 0.1827 0.8544
Loa Loa (eye worm) haspin protein kinase 0.0028 0.0012 0.0012
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0208 0.2138 1
Echinococcus granulosus Cell division cycle 2 protein kinase 0.0028 0.0012 0.0058
Echinococcus multilocularis Cell division cycle 2 protein kinase 0.0028 0.0012 0.0058
Schistosoma mansoni serine/threonine protein kinase 0.0154 0.1509 0.2526
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0208 0.2138 1
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0531 0.5972 1
Loa Loa (eye worm) CMGC/CDK/CRK7 protein kinase 0.0028 0.0012 0.0012
Plasmodium falciparum dihydroorotate dehydrogenase 0.0531 0.5972 1
Brugia malayi Cell division protein kinase 2 0.0028 0.0012 0.0021
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0531 0.5972 1
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.0531 0.5972 0.5
Echinococcus granulosus cyclin dependent kinase 9 0.0154 0.1509 0.7056
Giardia lamblia Kinase, CAMK CAMKL 0.0028 0.0012 0.5
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0208 0.2138 1
Echinococcus granulosus serine:threonine protein kinase NLK 0.0028 0.0012 0.0058
Brugia malayi cyclin-dependent kinase 7 homolog 0.0028 0.0012 0.0021
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0208 0.2138 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0208 0.2138 1
Brugia malayi Zinc finger, C2H2 type family protein 0.0208 0.2138 0.358
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.0531 0.5972 1
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0208 0.2138 0.3567
Echinococcus multilocularis serine:threonine protein kinase NLK 0.0028 0.0012 0.0058
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0531 0.5972 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0208 0.2138 1
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.0531 0.5972 0.5
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.0531 0.5972 1
Schistosoma mansoni serine/threonine protein kinase 0.0028 0.0012 0.0021
Giardia lamblia Kinase, CAMK CAMKL 0.0028 0.0012 0.5
Brugia malayi cyclin-dependent kinase 9 0.0154 0.1509 0.2526
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0531 0.5972 1
Brugia malayi Protein kinase domain containing protein 0.0028 0.0012 0.0021
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.0531 0.5972 0.5
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.0531 0.5972 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0028 0.0012 0.0058
Echinococcus granulosus cyclin dependent kinase 9 0.0181 0.1827 0.8544
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.0531 0.5972 0.5
Schistosoma mansoni protein kinase 0.0028 0.0012 0.0021
Entamoeba histolytica cell division protein kinase 2, putative 0.0028 0.0012 0.0058
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0531 0.5972 1
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0208 0.2138 1
Schistosoma mansoni kinase 0.0154 0.1509 0.2526

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) > 10000 nM Inhibition of the binding of [3H]-NT to neurotensin (NT) receptor in mouse brain tissue 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.
 
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

No literature references available for this target.

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