Detailed information for compound 1836761

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 361.819 | Formula: C19H20ClNO4
  • H donors: 0 H acceptors: 3 LogP: 4.24 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(OC(=O)c1cc(ccc1Cl)N1C(=O)C2=C(C1=O)CCCC2)C
  • InChi: 1S/C19H20ClNO4/c1-3-11(2)25-19(24)15-10-12(8-9-16(15)20)21-17(22)13-6-4-5-7-14(13)18(21)23/h8-11H,3-7H2,1-2H3
  • InChiKey: FQEQPLVVGYTYIM-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Zea mays Protoporphyrinogen IX oxidase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor Get druggable targets OG5_129066 All targets in OG5_129066
Candida albicans protoporphyrinogen oxidase, heme biosynthesis Get druggable targets OG5_129066 All targets in OG5_129066
Schistosoma japonicum ko:K00231 protoporphyrinogen oxidase [EC1.3.3.4B], putative Get druggable targets OG5_129066 All targets in OG5_129066
Chlamydia trachomatis protoporphyrinogen oxidase Get druggable targets OG5_129066 All targets in OG5_129066
Echinococcus granulosus protoporphyrinogen oxidase Get druggable targets OG5_129066 All targets in OG5_129066
Mycobacterium tuberculosis Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO) Get druggable targets OG5_129066 All targets in OG5_129066
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) Get druggable targets OG5_129066 All targets in OG5_129066
Mycobacterium ulcerans protoporphyrinogen oxidase Get druggable targets OG5_129066 All targets in OG5_129066
Candida albicans protoporphyrinogen oxidase Get druggable targets OG5_129066 All targets in OG5_129066
Echinococcus multilocularis protoporphyrinogen oxidase Get druggable targets OG5_129066 All targets in OG5_129066

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
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0387 0.2569 0.2569
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0192 0.0294 0.5
Echinococcus granulosus family S10 non peptidase ue S10 family 0.0766 0.6979 0.6979
Schistosoma mansoni family S10 non-peptidase homologue (S10 family) 0.085 0.7957 0.7895
Echinococcus granulosus lysosomal protective protein 0.085 0.7957 0.7957
Echinococcus multilocularis family S10 non peptidase ue (S10 family) 0.0766 0.6979 0.6887
Schistosoma mansoni family S10 unassigned peptidase (S10 family) 0.085 0.7957 0.7895
Echinococcus multilocularis lysosomal protective protein 0.085 0.7957 0.7895
Onchocerca volvulus Uncharacterized serine carboxypeptidase homolog 0.085 0.7957 0.5
Echinococcus granulosus sodium channel protein 0.0387 0.2569 0.2569
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0192 0.0294 0.5
Echinococcus multilocularis sodium channel protein 0.0387 0.2569 0.2344
Leishmania major serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 0.085 0.7957 0.7251
Chlamydia trachomatis protoporphyrinogen oxidase 0.0192 0.0294 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 8.6 Inhibition of protoporphyrinogen IX oxidase in Zea mays cv. Anjou (maize) seedlings homogenates assessed as protoporphyrinogen IX formation by spectrophotometry 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

Bibliographic References

No literature references available for this target.

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