Detailed information for compound 1839123

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 380.821 | Formula: C22H17ClO4
  • H donors: 0 H acceptors: 2 LogP: 5.19 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Oc1cc(CCc2ccccc2)oc(=O)c1)/C=C/c1ccccc1Cl
  • InChi: 1S/C22H17ClO4/c23-20-9-5-4-8-17(20)11-13-21(24)27-19-14-18(26-22(25)15-19)12-10-16-6-2-1-3-7-16/h1-9,11,13-15H,10,12H2/b13-11+
  • InChiKey: JAGMEBWJAFYMLS-ACCUITESSA-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
Toxoplasma gondii aldehyde dehydrogenase 0.012 0.2401 0.6788
Brugia malayi MAP kinase sur-1 0.0158 0.3414 1
Brugia malayi beta-lactamase family protein 0.004 0.0259 0.0759
Loa Loa (eye worm) hypothetical protein 0.004 0.0259 0.0759
Echinococcus granulosus mitogen activated protein kinase 3 0.0158 0.3414 0.3239
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0259 0.0759
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0158 0.3414 0.5262
Trypanosoma brucei protein kinase, putative 0.0158 0.3414 0.5312
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0158 0.3414 0.5312
Mycobacterium ulcerans aldehyde dehydrogenase 0.012 0.2401 0.8054
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0158 0.3414 1
Toxoplasma gondii hypothetical protein 0.0043 0.0342 0.0261
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0158 0.3414 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.012 0.2401 0.3572
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0259 0.0759
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0044 0.0368 0.1078
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0158 0.3414 0.5262
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0158 0.3414 0.5312
Leishmania major mitochondrial DNA polymerase beta 0.0265 0.6255 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0158 0.3414 0.5312
Giardia lamblia Kinase, CMGC MAPK 0.0158 0.3414 0.5
Mycobacterium leprae Probable lipase LipE 0.004 0.0259 0.5
Brugia malayi beta-lactamase 0.004 0.0259 0.0759
Mycobacterium leprae conserved hypothetical protein 0.004 0.0259 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0259 0.0105
Mycobacterium ulcerans aldehyde dehydrogenase 0.012 0.2401 0.8054
Mycobacterium ulcerans aldehyde dehydrogenase 0.012 0.2401 0.8054
Trichomonas vaginalis CMGC family protein kinase 0.0158 0.3414 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0125 0.2541 0.3806
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0045 0.0413 0.0358
Loa Loa (eye worm) hypothetical protein 0.004 0.0259 0.0759
Trichomonas vaginalis CMGC family protein kinase 0.0158 0.3414 1
Onchocerca volvulus 0.004 0.0259 0.5
Loa Loa (eye worm) beta-lactamase 0.004 0.0259 0.0759
Loa Loa (eye worm) hypothetical protein 0.004 0.0259 0.0759
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0265 0.6255 1
Schistosoma mansoni serine/threonine protein kinase 0.0158 0.3414 1
Onchocerca volvulus 0.004 0.0259 0.5
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0259 0.0759
Schistosoma mansoni aldehyde dehydrogenase 0.012 0.2401 0.7032
Onchocerca volvulus 0.004 0.0259 0.5
Echinococcus multilocularis mitogen activated protein kinase 3 0.0158 0.3414 0.3239
Echinococcus multilocularis mitogen activated protein kinase 0.0158 0.3414 0.3239
Loa Loa (eye worm) hypothetical protein 0.004 0.0259 0.0759
Schistosoma mansoni aldehyde dehydrogenase 0.012 0.2401 0.7032
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0265 0.6255 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0044 0.0368 0.1078
Echinococcus granulosus mitogen activated protein kinase 0.0158 0.3414 0.3239
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0259 0.0105
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0259 0.0105
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.012 0.2401 0.2199
Loa Loa (eye worm) hypothetical protein 0.0044 0.0368 0.1078
Mycobacterium ulcerans hypothetical protein 0.0139 0.2918 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0265 0.6255 1
Trichomonas vaginalis CMGC family protein kinase 0.0158 0.3414 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0259 0.0759
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.012 0.2401 0.3768
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0253 0.5943 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.012 0.2401 0.2199
Loa Loa (eye worm) hypothetical protein 0.004 0.0259 0.0759
Brugia malayi beta-lactamase family protein 0.004 0.0259 0.0759
Plasmodium vivax hypothetical protein, conserved 0.004 0.0259 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0044 0.0368 0.1078
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0158 0.3414 0.5312
Mycobacterium tuberculosis Conserved hypothetical protein 0.0139 0.2918 0.4678
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0158 0.3414 0.5312
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0125 0.2541 0.3871
Loa Loa (eye worm) hypothetical protein 0.004 0.0259 0.0759
Trichomonas vaginalis CMGC family protein kinase 0.0158 0.3414 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0125 0.2541 0.3871

Activities

No activities found for this compound.

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

No literature references available for this target.

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