Detailed information for compound 1601155

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 439.524 | Formula: C19H22FN3O4S2
  • H donors: 0 H acceptors: 3 LogP: 5.19 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C(Sc1sc2c(n1)cc(c(c2)F)n1nc(oc1=O)C(C)(C)C)(C)C
  • InChi: 1S/C19H22FN3O4S2/c1-7-26-15(24)19(5,6)29-16-21-11-9-12(10(20)8-13(11)28-16)23-17(25)27-14(22-23)18(2,3)4/h8-9H,7H2,1-6H3
  • InChiKey: HBHSJFGBSKLWDC-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
Homo sapiens protoporphyrinogen oxidase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis 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
Mycobacterium ulcerans 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
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
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
Chlamydia trachomatis 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 cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0518 0.1452 0.1452
Echinococcus multilocularis family S10 non peptidase ue (S10 family) 0.2328 0.8943 0.8932
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.2583 1 0.5
Echinococcus granulosus family S10 non peptidase ue S10 family 0.2328 0.8943 0.8943
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.2583 1 0.5
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.2583 1 0.5
Schistosoma mansoni lysosomal protective protein precursor (cathepsin A) (carboxypeptidase 0.0255 0.0367 0.0265
Echinococcus multilocularis lysosomal protective protein 0.2583 1 1
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.2583 1 0.5
Schistosoma mansoni family S10 unassigned peptidase (S10 family) 0.2583 1 1
Echinococcus granulosus lysosomal protective protein 0.2583 1 1
Mycobacterium tuberculosis Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO) 0.0167 0 0.5
Loa Loa (eye worm) hypothetical protein 0.2583 1 1
Chlamydia trachomatis protoporphyrinogen oxidase 0.0192 0.0104 0.5
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0192 0.0104 0.5
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.2583 1 0.5
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.2583 1 0.5
Leishmania major serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 0.2583 1 0.5
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.2583 1 0.5
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0192 0.0104 0.5
Loa Loa (eye worm) hypothetical protein 0.0501 0.1385 0.0198
Onchocerca volvulus Uncharacterized serine carboxypeptidase homolog 0.2583 1 0.5
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0518 0.1452 0.1361
Schistosoma mansoni family S10 non-peptidase homologue (S10 family) 0.2583 1 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 5.81 Inhibition of Homo sapiens (human) recombinant protoporphyrinogen oxidase expressed in Escherichia coli JM109 assessed as oxidation of protoporphyrinogen IX substrate by UV-visible spectrophotometry ChEMBL. 19954223
Ki (binding) = 1.54 uM Inhibition of human PPO by capillary electrophoresis method ChEMBL. 22130420
Ki (binding) = 1.54 uM Inhibition of Homo sapiens (human) recombinant protoporphyrinogen oxidase expressed in Escherichia coli JM109 assessed as oxidation of protoporphyrinogen IX substrate by UV-visible spectrophotometry ChEMBL. 19954223

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

2 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.