Detailed information for compound 1963293

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 437.51 | Formula: C24H28FN5O2
  • H donors: 2 H acceptors: 3 LogP: 2.27 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#C[C@H](Cc1ccc(cc1F)c1cnn(c1)CC1CCCO1)NC(=O)[C@H]1N[C@H]2C[C@@H]1CC2
  • InChi: 1S/C24H28FN5O2/c25-22-10-15(18-12-27-30(13-18)14-21-2-1-7-32-21)3-4-16(22)8-20(11-26)29-24(31)23-17-5-6-19(9-17)28-23/h3-4,10,12-13,17,19-21,23,28H,1-2,5-9,14H2,(H,29,31)/t17-,19+,20-,21?,23-/m0/s1
  • InChiKey: HMZMPMLDAMDPBI-XHISBUKVSA-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 cathepsin C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium hominis preprocathepsin c precursor 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 vivax dipeptidyl aminopeptidase 2, putative 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
Theileria parva cathepsin C, 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 berghei dipeptidyl aminopeptidase 2 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
Cryptosporidium parvum 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
Giardia lamblia Dipeptidyl-peptidase I precursor 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
Babesia bovis preprocathepsin c precursor, putative Get druggable targets OG5_130494 All targets in OG5_130494
Neospora caninum hypothetical protein Get druggable targets OG5_130494 All targets in OG5_130494
Toxoplasma gondii cathepsin CPC1 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 knowlesi dipeptidyl aminopeptidase 2, putative 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
Schistosoma japonicum ko:K01275 cathepsin C [EC3.4.14.1], 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 knowlesi dipeptidyl aminopeptidase 1, 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
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 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

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
Giardia lamblia Dipeptidyl-peptidase I precursor 0.023 0.2558 1
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.023 0.2558 1
Echinococcus granulosus a disintegrin and metalloproteinase with 0.0147 0.1402 0.1354
Brugia malayi hypothetical protein 0.0068 0.0302 0.1323
Loa Loa (eye worm) hypothetical protein 0.0457 0.5719 1
Echinococcus multilocularis adam 0.0068 0.0302 0.0249
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0056 0.0134 0.0504
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0131 0.1176 0.1127
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.023 0.2558 0.2516
Loa Loa (eye worm) hypothetical protein 0.0131 0.1176 0.2056
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0056 0.0134 0.5
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0136 0.1251 0.1203
Schistosoma mansoni adam (A disintegrin and metalloprotease 0.0068 0.0302 0.0249
Echinococcus multilocularis microtubule associated protein 2 0.0764 1 1
Echinococcus granulosus adam 17 protease 0.0239 0.2683 0.2642
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0143 0.134 0.5
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0253 0.2874 0.2834
Brugia malayi Hemopexin family protein 0.0066 0.0262 0.1129
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.0217 0.238 0.2338
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0253 0.2874 0.2834
Brugia malayi metalloprotease disintegrin 16 with thrombospondin type I motif 0.0103 0.078 0.3645
Schistosoma mansoni microtubule-associated protein tau 0.0764 1 1
Echinococcus granulosus adam 0.0068 0.0302 0.0249
Toxoplasma gondii preprocathepsin c precursor, putative 0.023 0.2558 1
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.023 0.2558 1
Brugia malayi ADAM-TS Spacer 1 family protein 0.0123 0.1061 0.5006
Mycobacterium ulcerans hydrolase 0.0056 0.0134 0.5
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0147 0.1402 0.1354
Schistosoma mansoni hypothetical protein 0.0066 0.0262 0.0209
Loa Loa (eye worm) hypothetical protein 0.0123 0.1061 0.1855
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.023 0.2558 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0134 0.0234
Mycobacterium leprae PROBABLE HYDROLASE 0.0056 0.0134 0.5
Onchocerca volvulus Matrix metalloproteinase homolog 0.0103 0.0778 0.3035
Toxoplasma gondii cathepsin CPC1 0.023 0.2558 1
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.0147 0.1402 0.1354
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.0055 0.0096
Echinococcus multilocularis adam 17 protease 0.0217 0.238 0.2338
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0136 0.1251 0.1203
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.0055 0.0122
Loa Loa (eye worm) matrixin family protein 0.0103 0.0778 0.136
Onchocerca volvulus Matrilysin homolog 0.0187 0.196 1
Loa Loa (eye worm) matrixin family protein 0.0197 0.2089 0.3653
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.023 0.2558 1
Brugia malayi Matrixin family protein 0.0197 0.2089 1

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.

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