Detailed information for compound 1967457

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 468.544 | Formula: C24H25FN4O3S
  • H donors: 3 H acceptors: 4 LogP: 2.52 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#C[C@H](Cc1ccc(cc1F)c1ccc(cc1)NS(=O)(=O)C)NC(=O)[C@H]1N[C@H]2C[C@@H]1[C@H]1[C@@H]2C1
  • InChi: 1S/C24H25FN4O3S/c1-33(31,32)29-16-6-4-13(5-7-16)14-2-3-15(21(25)9-14)8-17(12-26)27-24(30)23-20-11-22(28-23)19-10-18(19)20/h2-7,9,17-20,22-23,28-29H,8,10-11H2,1H3,(H,27,30)/t17-,18+,19-,20+,22-,23-/m0/s1
  • InChiKey: BCAZJKORVAFQTP-IYDLXWBISA-N  


Substructure search Similarity search

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 cathepsin C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K01275 cathepsin C [EC3.4.14.1], putative Get druggable targets OG5_130494 All targets in OG5_130494
Theileria parva cathepsin C, putative Get druggable targets OG5_130494 All targets in OG5_130494
Theileria parva cathepsin C, putative Get druggable targets OG5_130494 All targets in OG5_130494
Plasmodium falciparum dipeptidyl aminopeptidase 2 Get druggable targets OG5_130494 All targets in OG5_130494
Plasmodium vivax dipeptidyl aminopeptidase 2, putative Get druggable targets OG5_130494 All targets in OG5_130494
Toxoplasma gondii cathepsin CPC1 Get druggable targets OG5_130494 All targets in OG5_130494
Plasmodium berghei dipeptidyl aminopeptidase 1, putative Get druggable targets OG5_130494 All targets in OG5_130494
Babesia bovis preprocathepsin c precursor, putative Get druggable targets OG5_130494 All targets in OG5_130494
Plasmodium knowlesi dipeptidyl aminopeptidase 2, putative Get druggable targets OG5_130494 All targets in OG5_130494
Plasmodium yoelii Homo sapiens P3ECSL-related Get druggable targets OG5_130494 All targets in OG5_130494
Plasmodium falciparum dipeptidyl aminopeptidase 1 Get druggable targets OG5_130494 All targets in OG5_130494
Cryptosporidium hominis preprocathepsin c precursor Get druggable targets OG5_130494 All targets in OG5_130494
Toxoplasma gondii preprocathepsin c precursor, putative Get druggable targets OG5_130494 All targets in OG5_130494
Plasmodium yoelii cathepsin c precursor Get druggable targets OG5_130494 All targets in OG5_130494
Plasmodium vivax dipeptidyl aminopeptidase 1, putative Get druggable targets OG5_130494 All targets in OG5_130494
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase Get druggable targets OG5_130494 All targets in OG5_130494
Plasmodium knowlesi dipeptidyl aminopeptidase 1, putative Get druggable targets OG5_130494 All targets in OG5_130494
Babesia bovis cathepsin C precursor, putative Get druggable targets OG5_130494 All targets in OG5_130494
Plasmodium berghei dipeptidyl aminopeptidase 2 Get druggable targets OG5_130494 All targets in OG5_130494
Giardia lamblia Dipeptidyl-peptidase I precursor Get druggable targets OG5_130494 All targets in OG5_130494
Neospora caninum hypothetical protein Get druggable targets OG5_130494 All targets in OG5_130494
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) Get druggable targets OG5_130494 All targets in OG5_130494
Cryptosporidium parvum preprocathepsin c precursor, putative Get druggable targets OG5_130494 All targets in OG5_130494
Schistosoma japonicum Cathepsin C precursor, putative Get druggable targets OG5_130494 All targets in OG5_130494
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium vivax dipeptidyl aminopeptidase 3, putative cathepsin C 141 aa 152 aa 22.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.023 1 1
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.023 1 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.017 0.3162 0.5
Toxoplasma gondii cathepsin CPC1 0.023 1 0.5
Loa Loa (eye worm) hypothetical protein 0.017 0.3162 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.017 0.3162 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.017 0.3162 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.017 0.3162 0.5
Brugia malayi Steroid receptor seven-up type 2 0.017 0.3162 0.5
Echinococcus granulosus FTZ F1 alpha 0.017 0.3162 0.5
Brugia malayi nuclear receptor NHR-88 0.017 0.3162 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.017 0.3162 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.017 0.3162 0.5
Loa Loa (eye worm) hypothetical protein 0.017 0.3162 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.017 0.3162 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.017 0.3162 0.5
Loa Loa (eye worm) steroid hormone receptor 0.017 0.3162 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.017 0.3162 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.017 0.3162 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.017 0.3162 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.017 0.3162 0.5
Loa Loa (eye worm) hypothetical protein 0.017 0.3162 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.017 0.3162 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.017 0.3162 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.017 0.3162 0.5
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.023 1 0.5
Toxoplasma gondii preprocathepsin c precursor, putative 0.023 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.017 0.3162 0.5
Brugia malayi steroid hormone receptor 0.017 0.3162 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.017 0.3162 0.5
Echinococcus multilocularis FTZ F1 alpha 0.017 0.3162 0.5
Onchocerca volvulus Bile acid receptor homolog 0.017 0.3162 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.017 0.3162 0.5
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.023 1 0.5
Loa Loa (eye worm) hypothetical protein 0.017 0.3162 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.017 0.3162 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.017 0.3162 0.5
Brugia malayi ecdysteroid receptor 0.017 0.3162 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.017 0.3162 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.017 0.3162 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.017 0.3162 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.017 0.3162 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.017 0.3162 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.017 0.3162 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.017 0.3162 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.017 0.3162 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.017 0.3162 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.017 0.3162 0.5
Loa Loa (eye worm) hypothetical protein 0.017 0.3162 0.5
Brugia malayi nuclear hormone receptor 0.017 0.3162 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.017 0.3162 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.017 0.3162 0.5
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.023 1 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0143 0 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.017 0.3162 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.017 0.3162 0.5
Onchocerca volvulus 0.017 0.3162 0.5
Loa Loa (eye worm) hypothetical protein 0.017 0.3162 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.017 0.3162 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.017 0.3162 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.017 0.3162 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.017 0.3162 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.017 0.3162 0.5
Loa Loa (eye worm) hypothetical protein 0.017 0.3162 0.5
Loa Loa (eye worm) hypothetical protein 0.017 0.3162 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.017 0.3162 0.5

Activities

No activities found for this compound.

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.

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