Detailed information for compound 255787

Basic information

Technical information
  • TDR Targets ID: 255787
  • Name: 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-met hylindol-3-yl]acetohydrazide
  • MW: 357.834 | Formula: C19H20ClN3O2
  • H donors: 2 H acceptors: 1 LogP: 3.06 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: NNC(=O)Cc1c(C)n(c2c1cc(OC)cc2)Cc1ccc(cc1)Cl
  • InChi: 1S/C19H20ClN3O2/c1-12-16(10-19(24)22-21)17-9-15(25-2)7-8-18(17)23(12)11-13-3-5-14(20)6-4-13/h3-9H,10-11,21H2,1-2H3,(H,22,24)
  • InChiKey: ORZXNMISRAEIDO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]acetohydrazide
  • 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methyl-3-indolyl]acetohydrazide
  • 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]ethanehydrazide
  • 2-[1-(4-chlorobenzyl)-5-methoxy-2-methyl-indol-3-yl]acetohydrazide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens phospholipase A2, group IIA (platelets, synovial fluid) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Phospholipase A2 family protein phospholipase A2, group IIA (platelets, synovial fluid) 144 aa 125 aa 28.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Intermediate filament tail domain containing protein 0.0032 0.2516 0.2136
Schistosoma mansoni lamin 0.0032 0.2516 1
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0017 0.1113 0.5
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.1115 0.0663
Echinococcus multilocularis lamin 0.0032 0.2516 1
Echinococcus granulosus lamin 0.0032 0.2516 1
Loa Loa (eye worm) RecQ helicase 0.0025 0.1886 0.1474
Schistosoma mansoni intermediate filament proteins 0.0032 0.2516 1
Loa Loa (eye worm) hypothetical protein 0.002 0.1403 0.0966
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0483 0.4422
Schistosoma mansoni blooms syndrome DNA helicase 0.002 0.1384 0.5498
Trichomonas vaginalis DNA helicase recq, putative 0.0025 0.1886 1
Schistosoma mansoni DNA helicase recq1 0.001 0.0483 0.1921
Brugia malayi Bloom's syndrome protein homolog 0.0025 0.1886 0.1474
Loa Loa (eye worm) hypothetical protein 0.0111 1 1
Schistosoma mansoni DNA helicase recq5 0.001 0.0483 0.1921
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0032 0.2516 0.2136
Echinococcus granulosus lamin dm0 0.0032 0.2516 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0015 0.0954 0.2316
Onchocerca volvulus Phospholipase A2 homolog 0.0111 1 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.2516 0.2136
Loa Loa (eye worm) intermediate filament protein 0.0032 0.2516 0.2136
Loa Loa (eye worm) hypothetical protein 0.0015 0.0899 0.0437
Echinococcus multilocularis musashi 0.0032 0.2516 1
Entamoeba histolytica recQ family helicase, putative 0.0014 0.0774 1
Echinococcus multilocularis bloom syndrome protein 0.0025 0.1886 0.69
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0774 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0.2461 0.2078
Onchocerca volvulus Phospholipase A2 homolog 0.0111 1 1
Schistosoma mansoni lamin 0.0032 0.2516 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0954 0.0495
Loa Loa (eye worm) hypothetical protein 0.0111 1 1
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0774 0.5
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0022 0.1596 1
Trichomonas vaginalis DNA helicase recq1, putative 0.0025 0.1886 1
Echinococcus granulosus bloom syndrome protein 0.0025 0.1886 0.69
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0483 0.4422
Echinococcus multilocularis lamin dm0 0.0032 0.2516 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0015 0.0954 0.2316
Echinococcus granulosus intermediate filament protein 0.0032 0.2516 1
Brugia malayi intermediate filament protein 0.0032 0.2516 0.2136
Loa Loa (eye worm) hypothetical protein 0.0015 0.0899 0.0437
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0774 0.5
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.1115 0.0663
Giardia lamblia Sgs1 DNA helicase, putative 0.001 0.0483 0.5
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0017 0.1093 1

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) 0 uM Inhibition of AA (arachidonic acid) induced contraction of guinea pig lung tissue ChEMBL. 9005255
IC50 (functional) = 9.28 uM Inhibition of Human Nonpancreatic Secretory Phospholipase A2 through Chromogenic assay ChEMBL. 9005255
IC50 (functional) = 9.28 uM Inhibition of Human Nonpancreatic Secretory Phospholipase A2 through Chromogenic assay ChEMBL. 9005255
KB app (functional) uM Compound was evaluated for the inhibition of PLA2 induced contraction of GP lung tissue (Guinea pig) (n=4); No data ChEMBL. 9005255
KB app (functional) 0 uM Compound was evaluated for the inhibition of PLA2 induced contraction of GP lung tissue (Guinea pig) (n=4); No data ChEMBL. 9005255
Mole fraction (functional) = 7.5 Mole fraction as PLA2 IC50 concentration divided by total lipid concentration (1230 microM) ChEMBL. 9005255
Mole fraction (functional) = 7.5 Mole fraction as PLA2 IC50 concentration divided by total lipid concentration (1230 microM) ChEMBL. 9005255

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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