Detailed information for compound 1805865

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 300.175 | Formula: C10H10BrN3OS
  • H donors: 0 H acceptors: 1 LogP: 2.96 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1)/N=c/1\sc(=O)n(n1C)C
  • InChi: 1S/C10H10BrN3OS/c1-13-9(16-10(15)14(13)2)12-8-5-3-7(11)4-6-8/h3-6H,1-2H3/b12-9-
  • InChiKey: OCOQQWUDKHLFIE-XFXZXTDPSA-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
Mycobacterium tuberculosis Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO) 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 leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 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
Mycobacterium ulcerans protoporphyrinogen oxidase Get druggable targets OG5_129066 All targets in OG5_129066
Chlamydia trachomatis protoporphyrinogen oxidase 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
Candida albicans protoporphyrinogen oxidase, heme biosynthesis Get druggable targets OG5_129066 All targets in OG5_129066
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 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
Schistosoma mansoni Neurotrimin precursor (hNT) 0.002 0.037 0.037
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0025 0.0657 0.0298
Brugia malayi amine oxidase, flavin-containing family protein 0.0025 0.0657 0.6091
Loa Loa (eye worm) hypothetical protein 0.0025 0.0657 0.4367
Loa Loa (eye worm) hypothetical protein 0.0032 0.1026 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0027 0.0738 0.0448
Loa Loa (eye worm) hypothetical protein 0.0025 0.0657 0.4367
Brugia malayi SWIRM domain containing protein 0.0025 0.0657 0.6091
Brugia malayi Immunoglobulin I-set domain containing protein 0.0029 0.0841 1
Trypanosoma cruzi UDP-galactopyranose mutase 0.0025 0.0657 0.5
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0025 0.0657 0.5
Plasmodium vivax hypothetical protein, conserved 0.0025 0.0657 0.5
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0025 0.0657 0.5
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0025 0.0657 0.5
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.002 0.037 0.037
Onchocerca volvulus 0.0025 0.0657 0.5
Echinococcus multilocularis roundabout 2 0.0032 0.1026 0.0682
Toxoplasma gondii histone lysine-specific demethylase 0.0025 0.0657 0.5
Echinococcus granulosus neuroglian 0.0025 0.0658 0.0351
Leishmania major UDP-galactopyranose mutase 0.0025 0.0657 0.5
Mycobacterium tuberculosis Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO) 0.0167 0.8584 1
Schistosoma mansoni amine oxidase 0.0025 0.0657 0.0657
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0029 0.0841 0.717
Loa Loa (eye worm) hypothetical protein 0.0025 0.0657 0.4367
Schistosoma mansoni nephrin 0.0025 0.0658 0.0658
Schistosoma mansoni amine oxidase 0.0025 0.0657 0.0657
Echinococcus granulosus twitchin 0.0025 0.0658 0.0351
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0025 0.0657 0.5
Brugia malayi hypothetical protein 0.0025 0.0657 0.6091
Plasmodium falciparum protoporphyrinogen oxidase 0.0025 0.0657 0.5
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0192 1 0.5
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0025 0.0657 0.5
Echinococcus multilocularis protoporphyrinogen oxidase 0.0192 1 1
Trypanosoma cruzi UDP-galactopyranose mutase 0.0025 0.0657 0.5
Echinococcus multilocularis 0.0025 0.0657 0.0298
Echinococcus granulosus lysine specific histone demethylase 1A 0.0025 0.0657 0.0349
Loa Loa (eye worm) hypothetical protein 0.0025 0.0657 0.4367
Loa Loa (eye worm) hypothetical protein 0.0025 0.0657 0.4367
Echinococcus multilocularis neuroglian 0.0025 0.0658 0.0299
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0025 0.0657 0.0657
Loa Loa (eye worm) hypothetical protein 0.0032 0.1026 1
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0192 1 1
Echinococcus granulosus protoporphyrinogen oxidase 0.0167 0.8584 1
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0192 1 1
Schistosoma mansoni vesicular amine transporter 0.002 0.037 0.037
Schistosoma mansoni cell adhesion molecule 0.0027 0.0738 0.0738
Loa Loa (eye worm) hypothetical protein 0.0027 0.0738 0.5607
Echinococcus granulosus roundabout 2 0.0032 0.1026 0.0799
Loa Loa (eye worm) hypothetical protein 0.0025 0.0657 0.4367
Plasmodium vivax hypothetical protein, conserved 0.0025 0.0657 0.5
Echinococcus granulosus lysine specific histone demethylase 1A 0.0025 0.0657 0.0349

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5.43 Inhibition of Zea mays (maize) protoporphyrinogen IX oxidase 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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