Detailed information for compound 1963286

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 427.515 | Formula: C23H30FN5O2
  • H donors: 2 H acceptors: 2 LogP: 1.62 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#C[C@H](Cc1ccc(cc1F)N1CCN2C(C1)COCC2)NC(=O)[C@H]1N[C@H]2C[C@@H]1CC2
  • InChi: 1S/C23H30FN5O2/c24-21-11-19(29-6-5-28-7-8-31-14-20(28)13-29)4-2-15(21)9-18(12-25)27-23(30)22-16-1-3-17(10-16)26-22/h2,4,11,16-18,20,22,26H,1,3,5-10,13-14H2,(H,27,30)/t16-,17+,18-,20?,22-/m0/s1
  • InChiKey: SOLOVPGTCODBHF-AEJWZEPGSA-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
Babesia bovis preprocathepsin 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
Plasmodium knowlesi dipeptidyl aminopeptidase 2, 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 falciparum dipeptidyl aminopeptidase 1 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 japonicum ko:K01275 cathepsin C [EC3.4.14.1], putative 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
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
Babesia bovis cathepsin C precursor, putative 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
Cryptosporidium parvum preprocathepsin c precursor, 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 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 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
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 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
Cryptosporidium hominis preprocathepsin c precursor 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 family S12 unassigned peptidase (S12 family) 0.0039 0.0359 0.0359
Brugia malayi beta-lactamase 0.0039 0.0359 0.4711
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.023 0.3502 0.3502
Schistosoma mansoni hypothetical protein 0.0033 0.0258 0.0258
Loa Loa (eye worm) hypothetical protein 0.005 0.0544 0.7128
Mycobacterium ulcerans hypothetical protein 0.0039 0.0359 0.5
Mycobacterium leprae Probable lipase LipE 0.0039 0.0359 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 0.0359 0.4711
Loa Loa (eye worm) hypothetical protein 0.0039 0.0359 0.4711
Toxoplasma gondii cathepsin CPC1 0.023 0.3502 1
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0087 0.1156 0.3303
Loa Loa (eye worm) hypothetical protein 0.0039 0.0359 0.4711
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.0544 0.1553
Brugia malayi jmjC domain containing protein 0.0063 0.0763 1
Leishmania major hypothetical protein, conserved 0.005 0.0544 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0063 0.0763 0.0763
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0359 0.4711
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.0359 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0359 0.0359
Echinococcus granulosus neuropeptide s receptor 0.0498 0.7903 0.7903
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0143 0.2068 1
Entamoeba histolytica hypothetical protein 0.0033 0.0258 0.5
Entamoeba histolytica hypothetical protein 0.0033 0.0258 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.0544 0.1553
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0063 0.0763 0.0763
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0359 0.0359
Echinococcus multilocularis neuropeptide s receptor 0.0498 0.7903 0.7903
Toxoplasma gondii LsmAD domain-containing protein 0.005 0.0544 0.1553
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0359 0.661
Toxoplasma gondii ABC1 family protein 0.0039 0.0359 0.1027
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.023 0.3502 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0063 0.0763 0.0763
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0033 0.0258 0.0258
Plasmodium vivax ataxin-2 like protein, putative 0.005 0.0544 0.1553
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0359 0.0359
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0359 0.661
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0063 0.0763 0.0763
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0359 0.661
Loa Loa (eye worm) hypothetical protein 0.0039 0.0359 0.4711
Giardia lamblia Dipeptidyl-peptidase I precursor 0.023 0.3502 1
Echinococcus granulosus lysine specific demethylase 5A 0.0063 0.0763 0.0763
Onchocerca volvulus 0.0039 0.0359 0.5
Mycobacterium ulcerans beta-lactamase 0.0039 0.0359 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 0.0763 1
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0087 0.1156 0.3303
Toxoplasma gondii cathepsin CPC2 0.0087 0.1156 0.3303
Onchocerca volvulus 0.0039 0.0359 0.5
Brugia malayi beta-lactamase family protein 0.0039 0.0359 0.4711
Brugia malayi beta-lactamase family protein 0.0039 0.0359 0.4711
Brugia malayi hypothetical protein 0.0032 0.0253 0.3313
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0359 0.1027
Trypanosoma brucei PAB1-binding protein , putative 0.005 0.0544 1
Brugia malayi jmjC domain containing protein 0.0063 0.0763 1
Loa Loa (eye worm) beta-lactamase 0.0039 0.0359 0.4711
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.023 0.3502 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0033 0.0258 0.0258
Echinococcus granulosus neuropeptide receptor A26 0.0498 0.7903 0.7903
Brugia malayi hypothetical protein 0.0033 0.0258 0.3386
Brugia malayi hypothetical protein 0.005 0.0544 0.7128
Mycobacterium ulcerans lipase LipD 0.0039 0.0359 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0359 0.4711
Schistosoma mansoni jumonji/arid domain-containing protein 0.0063 0.0763 0.0763
Echinococcus multilocularis neuropeptide receptor A26 0.0498 0.7903 0.7903
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0022 0.0091 0.0091
Echinococcus multilocularis microtubule associated protein 2 0.0626 1 1
Entamoeba histolytica hypothetical protein 0.0033 0.0258 0.5
Toxoplasma gondii preprocathepsin c precursor, putative 0.023 0.3502 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0359 0.4711
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.0544 1
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.023 0.3502 1
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.0359 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0033 0.0258 0.0258
Leishmania major hypothetical protein, conserved 0.0039 0.0359 0.661
Schistosoma mansoni microtubule-associated protein tau 0.0626 1 1
Entamoeba histolytica hypothetical protein 0.0033 0.0258 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 0.0359 0.4711
Mycobacterium leprae conserved hypothetical protein 0.0039 0.0359 0.5
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.023 0.3502 1
Schistosoma mansoni hypothetical protein 0.0022 0.0091 0.0091
Onchocerca volvulus 0.0039 0.0359 0.5
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0022 0.0091 0.0091
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0248 0.3792 1
Schistosoma mansoni jumonji domain containing protein 0.0063 0.0763 0.0763
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.0544 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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