Detailed information for compound 1517682

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 340.208 | Formula: C14H15Cl2N5O
  • H donors: 0 H acceptors: 2 LogP: 3.51 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(Cn1nnc2c(c1=O)cc(cc2)Cl)Cn1cncc1.Cl
  • InChi: 1S/C14H14ClN5O.ClH/c1-10(7-19-5-4-16-9-19)8-20-14(21)12-6-11(15)2-3-13(12)17-18-20;/h2-6,9-10H,7-8H2,1H3;1H
  • InChiKey: JCSBDMGMNMRRCU-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
Rattus norvegicus Thromboxane-A synthase 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
Leishmania donovani cytochrome p450-like protein Thromboxane-A synthase   533 aa 473 aa 22.2 %
Trypanosoma congolense cytochrome P450, putative Thromboxane-A synthase   533 aa 453 aa 20.3 %
Trypanosoma brucei gambiense cytochrome P450, putative Thromboxane-A synthase   533 aa 450 aa 20.9 %
Trypanosoma cruzi cytochrome P450, putative Thromboxane-A synthase   533 aa 448 aa 20.5 %
Leishmania major cytochrome p450-like protein Thromboxane-A synthase   533 aa 468 aa 22.0 %
Trypanosoma cruzi cytochrome P450, putative Thromboxane-A synthase   533 aa 450 aa 20.7 %
Leishmania braziliensis cytochrome p450-like protein Thromboxane-A synthase   533 aa 477 aa 20.3 %
Dictyostelium discoideum cytochrome P450 family protein Thromboxane-A synthase   533 aa 456 aa 22.4 %
Leishmania mexicana cytochrome p450-like protein Thromboxane-A synthase   533 aa 469 aa 22.0 %
Leishmania infantum cytochrome p450-like protein Thromboxane-A synthase   533 aa 473 aa 22.2 %
Onchocerca volvulus Thromboxane-A synthase   533 aa 507 aa 21.7 %
Trypanosoma brucei cytochrome P450, putative Thromboxane-A synthase   533 aa 450 aa 20.9 %
Dictyostelium discoideum cytochrome P450 family protein Thromboxane-A synthase   533 aa 544 aa 19.9 %
Loa Loa (eye worm) cytochrome P450 family protein Thromboxane-A synthase   533 aa 480 aa 20.8 %
Candida albicans cytochrome P450 56 Thromboxane-A synthase   533 aa 507 aa 22.9 %
Dictyostelium discoideum cytochrome P450 family protein Thromboxane-A synthase   533 aa 530 aa 22.6 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Onchocerca volvulus 0.0478 1 1
Loa Loa (eye worm) hypothetical protein 0.0478 1 1
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0478 1 1
Brugia malayi LBP / BPI / CETP family, N-terminal domain containing protein 0.0478 1 1
Onchocerca volvulus 0.0478 1 1
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0478 1 1
Onchocerca volvulus 0.0478 1 1
Onchocerca volvulus 0.0478 1 1
Onchocerca volvulus 0.0478 1 1
Onchocerca volvulus 0.0478 1 1
Onchocerca volvulus 0.0478 1 1
Onchocerca volvulus 0.0478 1 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Tested for antihypertensive activity in spontaneously hypertensive rats at 100 mg/kg peroral dosage for 2 days; I is inactive ChEMBL. 3681898
IC50 (binding) = 0.0000009 M Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats ChEMBL. 3681898

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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