Detailed information for compound 1942526

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 422.449 | Formula: C24H23FN2O4
  • H donors: 0 H acceptors: 2 LogP: 3.52 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)c1occ(n1)CN1CCC(CC1)C(=O)c1ccc2c(c1)OCCO2
  • InChi: 1S/C24H23FN2O4/c25-19-3-1-2-18(12-19)24-26-20(15-31-24)14-27-8-6-16(7-9-27)23(28)17-4-5-21-22(13-17)30-11-10-29-21/h1-5,12-13,15-16H,6-11,14H2
  • InChiKey: BYFKKJAXKHAYMR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Brugia malayi B-box type zinc-finger protein ncl-1 0.003 0.0231 0.0231
Loa Loa (eye worm) B-box zinc finger family protein 0.003 0.0231 0.0231
Onchocerca volvulus Cathepsin L homolog 0.0005 0.0016 0.4227
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0005 0.0016 0.0604
Loa Loa (eye worm) cysteine protease 0.0005 0.0016 0.0016
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0033 0.0257 0.0257
Brugia malayi Cathepsin L-like precursor 0.0005 0.0016 0.0016
Brugia malayi B-box type zinc-finger protein ncl-1 0.003 0.0231 0.0231
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0047 0.0388 0.0373
Entamoeba histolytica cysteine proteinase, putative 0.0005 0.0016 0.0673
Onchocerca volvulus 0.0005 0.0016 0.4227
Brugia malayi Cathepsin L-like precursor 0.0005 0.0016 0.0016
Brugia malayi Cathepsin L-like precursor 0.0005 0.0016 0.0016
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0005 0.0016 0.0604
Onchocerca volvulus Cathepsin L homolog 0.0005 0.0016 0.4227
Trypanosoma cruzi cysteine peptidase, putative 0.0005 0.0016 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0005 0.0016 0.0604
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0005 0.0016 0.0604
Plasmodium falciparum plasmepsin VIII, putative 0.0008 0.0037 0.0879
Onchocerca volvulus 0.0008 0.0037 1
Loa Loa (eye worm) hypothetical protein 0.0008 0.0037 0.0037
Brugia malayi hypothetical protein 0.0008 0.0037 0.0037
Brugia malayi Pepsin A precursor 0.0008 0.0037 0.0037
Mycobacterium tuberculosis Probable conserved membrane protein 0.003 0.0231 0.5
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0047 0.0388 0.0388
Brugia malayi B-box zinc finger family protein 0.003 0.0231 0.0231
Leishmania major cathepsin L-like protease 0.0005 0.0016 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.0231 0.0231
Plasmodium falciparum plasmepsin IX 0.0008 0.0037 0.0879
Schistosoma mansoni dopamine-beta-monooxygenase 0.0601 0.5296 0.5296
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0005 0.0016 0.0604
Plasmodium vivax aspartyl proteinase, putative 0.0033 0.0257 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0008 0.0037 0.0037
Mycobacterium tuberculosis PE-PGRS family protein PE_PGRS17 0.003 0.0231 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.0005 0.0016 1
Brugia malayi Eukaryotic aspartyl protease family protein 0.0008 0.0037 0.0037
Onchocerca volvulus 0.0005 0.0016 0.4227
Onchocerca volvulus 0.0005 0.0016 0.4227
Plasmodium vivax aspartyl protease, putative 0.0008 0.0037 0.0879
Toxoplasma gondii aspartyl protease 0.0008 0.0037 0.0879
Schistosoma mansoni cathepsin D (A01 family) 0.0096 0.0818 0.0818
Schistosoma mansoni hypothetical protein 0.003 0.0231 0.0231
Brugia malayi aspartic protease BmAsp-1, identical 0.0008 0.0037 0.0037
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0005 0.0016 0.0604
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.0008 0.0037 0.0879
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0047 0.0388 0.0373
Onchocerca volvulus 0.0005 0.0016 0.4227
Brugia malayi Hypothetical RING finger protein F54G8.4 in chromosome III 0.003 0.0231 0.0231
Loa Loa (eye worm) ctsf protein 0.0005 0.0016 0.0016
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0005 0.0016 0.0604
Plasmodium vivax aspartyl protease, putative 0.0008 0.0037 0.0879
Leishmania major cysteine peptidase A (CPA) 0.0005 0.0016 0.5
Plasmodium falciparum plasmepsin III 0.0008 0.0037 0.0879
Echinococcus granulosus tripartite motif containing protein 3 0.003 0.0231 0.0231
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0047 0.0388 0.0388
Brugia malayi Cathepsin L-like precursor 0.0005 0.0016 0.0016
Giardia lamblia Haloacid dehalogenase-like hydrolase family 0.003 0.0231 0.5
Schistosoma mansoni hypothetical protein 0.003 0.0231 0.0231
Plasmodium vivax aspartyl protease, putative 0.0008 0.0037 0.0879
Leishmania major cathepsin L-like protease 0.0005 0.0016 0.5
Loa Loa (eye worm) aspartyl protease 6 0.0008 0.0037 0.0037
Leishmania major cathepsin L-like protease 0.0005 0.0016 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0.0016 0.0016
Loa Loa (eye worm) fibroinase 0.0005 0.0016 0.0016
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0005 0.0016 0.0604
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0008 0.0037 0.0037
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0005 0.0016 0.0604
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0033 0.0257 0.0242
Echinococcus granulosus brain tumor protein 0.003 0.0231 0.0231
Toxoplasma gondii aspartyl protease ASP3 0.0008 0.0037 0.0879
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0005 0.0016 0.0604
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0005 0.0016 0.0604
Plasmodium vivax plasmepsin V, putative 0.0008 0.0037 0.0879
Brugia malayi hypothetical protein 0.0008 0.0037 0.0037
Brugia malayi Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein 0.0305 0.2672 0.2672
Onchocerca volvulus 0.0005 0.0016 0.4227
Loa Loa (eye worm) B-box zinc finger family protein 0.003 0.0231 0.0231
Mycobacterium tuberculosis PE-PGRS family protein PE_PGRS18 0.003 0.0231 0.5
Giardia lamblia Hypothetical protein 0.003 0.0231 0.5
Brugia malayi Cathepsin L-like precursor 0.0005 0.0016 0.0016
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0047 0.0388 0.0388
Schistosoma mansoni hypothetical protein 0.003 0.0231 0.0231
Schistosoma mansoni peptidylglycine monooxygenase 0.0601 0.5296 0.5296
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0005 0.0016 0.0604
Entamoeba histolytica hypothetical protein 0.003 0.0231 1
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0033 0.0257 1
Leishmania major cathepsin L-like protease 0.0005 0.0016 0.5
Loa Loa (eye worm) hypothetical protein 0.0008 0.0037 0.0037
Leishmania major cathepsin L-like protease 0.0005 0.0016 0.5
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0033 0.0257 0.0257
Trypanosoma cruzi cysteine peptidase, putative 0.0005 0.0016 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0005 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0033 0.0257 0.0257
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0005 0.0016 0.0016
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0005 0.0016 0.0604
Echinococcus multilocularis brain tumor protein 0.003 0.0231 0.0216
Schistosoma mansoni cathepsin D (A01 family) 0.0096 0.0818 0.0818
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0008 0.0037 0.0037
Schistosoma mansoni brat protein 0.003 0.0231 0.0231
Plasmodium falciparum plasmepsin IV 0.0033 0.0257 1
Entamoeba histolytica cysteine proteinase, putative 0.0005 0.0016 0.0673
Loa Loa (eye worm) RING finger protein nhl-1 0.003 0.0231 0.0231
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0005 0.0016 0.0604
Loa Loa (eye worm) hypothetical protein 0.0601 0.5296 0.5296
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0005 0.0016 0.0604
Brugia malayi aspartic protease BmAsp-2, identical 0.0008 0.0037 0.0037
Leishmania major cathepsin L-like protease 0.0005 0.0016 0.5
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0047 0.0388 0.0388
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0005 0.0016 0.0604
Brugia malayi Cathepsin L-like precursor 0.0005 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.003 0.0231 0.0231
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0296 0.2593 0.2593
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0601 0.5296 0.5296
Trypanosoma brucei flagellum-adhesion glycoprotein, putative 0.003 0.0231 1
Onchocerca volvulus 0.0005 0.0016 0.4227
Trypanosoma cruzi cysteine peptidase, putative 0.0005 0.0016 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0005 0.0016 0.0604
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0033 0.0257 1
Echinococcus multilocularis brain tumor protein 0.003 0.0231 0.0216
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0005 0.0016 0.0604
Entamoeba histolytica cysteine protease, putative 0.0005 0.0016 0.0673
Onchocerca volvulus 0.0005 0.0016 0.4227
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0005 0.0016 0.0604
Loa Loa (eye worm) hypothetical protein 0.003 0.0231 0.0231
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0005 0.0016 0.0016
Trypanosoma brucei flagellum-adhesion glycoprotein, putative 0.003 0.0231 1
Echinococcus granulosus cathepsin l1 0.0005 0.0016 0.0016
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0005 0.0016 0.0604
Plasmodium vivax aspartyl proteinase, putative 0.0008 0.0037 0.0879
Loa Loa (eye worm) NCL-1 protein 0.003 0.0231 0.0231
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0047 0.0388 0.0388
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0033 0.0257 0.0257
Schistosoma mansoni memapsin-2 (A01 family) 0.0008 0.0037 0.0037
Brugia malayi B-box zinc finger family protein 0.003 0.0231 0.0231
Plasmodium falciparum plasmepsin VII 0.0008 0.0037 0.0879
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0008 0.0037 0.0037
Leishmania major cathepsin L-like protease 0.0005 0.0016 0.5
Schistosoma mansoni peptidylglycine monooxygenase 0.003 0.0231 0.0231
Schistosoma mansoni cathepsin F (C01 family) 0.0005 0.0016 0.0016
Plasmodium falciparum plasmepsin VI 0.0033 0.0257 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0005 0.0016 0.0604
Trypanosoma cruzi cruzipain precursor, putative 0.0005 0.0016 1
Echinococcus multilocularis tripartite motif containing protein 3 0.003 0.0231 0.0216
Leishmania major cathepsin L-like protease 0.0005 0.0016 0.5
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0008 0.0037 0.0037
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0005 0.0016 0.0604
Schistosoma mansoni cathepsin F (C01 family) 0.0005 0.0016 0.0016
Plasmodium falciparum plasmepsin V 0.0008 0.0037 0.0879
Onchocerca volvulus Cathepsin F homolog 0.0005 0.0016 0.4227
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0005 0.0016 0.0604
Toxoplasma gondii aspartyl protease ASP1 0.0033 0.0257 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0008 0.0037 0.0037
Plasmodium falciparum plasmepsin I 0.0033 0.0257 1
Schistosoma mansoni hypothetical protein 0.003 0.0231 0.0231
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0008 0.0037 0.0037
Brugia malayi Papain family cysteine protease containing protein 0.0005 0.0016 0.0016
Plasmodium falciparum plasmepsin II 0.0033 0.0257 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0008 0.0037 0.0037
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0008 0.0037 0.0037
Plasmodium falciparum plasmepsin X 0.0008 0.0037 0.0879
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0005 0.0016 0.0604
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0005 0.0016 0.0604
Onchocerca volvulus 0.0008 0.0037 1
Plasmodium vivax plasmepsin IV, putative 0.0033 0.0257 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0005 0.0016 0.0016

Activities

Activity type Activity value Assay description Source Reference
IC50 (ADMET) > 150 mg/L Cytotoxicity against human HEK293 cells after 36 hrs by MTT assay ChEMBL. 26459210
MIC=>90 (functional) = 16 mg/L Antimycobacterial activity against multidrug-resistant Mycobacterium tuberculosis FJ05120 after 3 to 4 weeks by microplate alamar blue assay ChEMBL. 26459210

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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