Detailed information for compound 627586

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 376.402 | Formula: C18H17FN2O4S
  • H donors: 0 H acceptors: 1 LogP: 3.59 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(cc(c1OC)OC)C(=O)N=c1sc2c(n1C)c(F)ccc2
  • InChi: 1S/C18H17FN2O4S/c1-21-15-11(19)6-5-7-14(15)26-18(21)20-17(22)10-8-12(23-2)16(25-4)13(9-10)24-3/h5-9H,1-4H3/b20-18-
  • InChiKey: QCECOIBWUKMAFL-ZZEZOPTASA-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
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0821 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1111 0.1096
Brugia malayi TAR-binding protein 0.0128 0.3964 0.4465
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1111 0.0849
Schistosoma mansoni tar DNA-binding protein 0.0128 0.3964 0.3786
Brugia malayi RNA binding protein 0.0128 0.3964 0.4465
Schistosoma mansoni glutaminase 0.0269 0.8796 0.8761
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0544 0.4825
Loa Loa (eye worm) RNA binding protein 0.0128 0.3964 0.3964
Schistosoma mansoni hypothetical protein 0.0304 1 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0821 0.0821
Onchocerca volvulus 0.0037 0.0821 1
Toxoplasma gondii ABC1 family protein 0.0037 0.0821 1
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0821 0.0628
Trichomonas vaginalis glutaminase, putative 0.0269 0.8796 1
Schistosoma mansoni importin beta-1 0.0028 0.0544 0.0266
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.05 0.05
Echinococcus multilocularis lamin dm0 0.0027 0.05 0.0483
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0821 0.0628
Entamoeba histolytica hypothetical protein 0.0023 0.0359 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0821 0.0805
Leishmania major importin beta-1 subunit, putative 0.0023 0.0359 0.1369
Schistosoma mansoni tar DNA-binding protein 0.0128 0.3964 0.3786
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0286 0.5
Loa Loa (eye worm) TAR-binding protein 0.0128 0.3964 0.3964
Schistosoma mansoni lamin 0.0027 0.05 0.022
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1111 0.1096
Loa Loa (eye worm) hypothetical protein 0.0027 0.0483 0.0483
Loa Loa (eye worm) beta-lactamase 0.0037 0.0821 0.0821
Schistosoma mansoni tar DNA-binding protein 0.0128 0.3964 0.3786
Mycobacterium ulcerans glutaminase 0.0269 0.8796 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1111 0.1096
Echinococcus granulosus tar DNA binding protein 0.0128 0.3964 0.3954
Onchocerca volvulus 0.0037 0.0821 1
Brugia malayi RNA, U transporter 1 0.0081 0.2346 0.2611
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1111 0.0849
Loa Loa (eye worm) hypothetical protein 0.0027 0.05 0.05
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0821 0.0805
Schistosoma mansoni lamin 0.0027 0.05 0.022
Echinococcus multilocularis musashi 0.0027 0.05 0.0483
Brugia malayi beta-lactamase family protein 0.0037 0.0821 0.0864
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0821 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1111 0.1096
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0821 0.0628
Trichomonas vaginalis esterase, putative 0.0037 0.0821 0.0628
Echinococcus multilocularis tar DNA binding protein 0.0128 0.3964 0.3954
Schistosoma mansoni intermediate filament proteins 0.0027 0.05 0.022
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0128 0.3964 0.3964
Schistosoma mansoni tar DNA-binding protein 0.0128 0.3964 0.3786
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0359 0.0086
Loa Loa (eye worm) hypothetical protein 0.0013 0.0017 0.0017
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0544 0.4825
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0821 0.0864
Loa Loa (eye worm) hypothetical protein 0.0037 0.0821 0.0821
Brugia malayi beta-lactamase 0.0037 0.0821 0.0864
Plasmodium vivax importin-beta 2, putative 0.0028 0.0544 0.4825
Loa Loa (eye worm) hypothetical protein 0.0028 0.0544 0.0544
Loa Loa (eye worm) glutaminase 0.0269 0.8796 0.8796
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0304 1 1
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0544 0.0528
Echinococcus granulosus importin subunit beta 1 0.0028 0.0544 0.0528
Loa Loa (eye worm) hypothetical protein 0.0037 0.0821 0.0821
Plasmodium falciparum importin beta, putative 0.0028 0.0544 1
Echinococcus granulosus lamin 0.0027 0.05 0.0483
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0286 0.027
Brugia malayi Importin beta-1 subunit 0.0028 0.0544 0.0547
Echinococcus multilocularis lamin 0.0027 0.05 0.0483
Loa Loa (eye worm) hypothetical protein 0.0037 0.0821 0.0821
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1111 0.0849
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0821 0.0821
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0286 0.0252
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0359 0.0086
Onchocerca volvulus 0.0037 0.0821 1
Echinococcus granulosus lamin dm0 0.0027 0.05 0.0483
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0234 0.7579 1
Loa Loa (eye worm) glutaminase 2 0.0269 0.8796 0.8796
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0821 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1111 0.1197
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0359 0.1369
Brugia malayi glutaminase DH11.1 0.0269 0.8796 1
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0821 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0821 0.0821
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0544 0.4825
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0821 0.0551
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1111 0.1111
Leishmania major hypothetical protein, conserved 0.0037 0.0821 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0067 0.0067
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.05 0.0496
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0286 0.0286
Brugia malayi RNA recognition motif domain containing protein 0.0128 0.3964 0.4465
Echinococcus granulosus intermediate filament protein 0.0027 0.05 0.0483
Brugia malayi beta-lactamase family protein 0.0037 0.0821 0.0864
Loa Loa (eye worm) intermediate filament protein 0.0027 0.05 0.05
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0821 0.0628
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0821 0.0628
Loa Loa (eye worm) hypothetical protein 0.0037 0.0821 0.0821
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0359 0.0086
Brugia malayi intermediate filament protein 0.0027 0.05 0.0496
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0286 0.027
Echinococcus multilocularis snurportin 1 0.0304 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0821 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0821 0.0551
Mycobacterium leprae Probable lipase LipE 0.0037 0.0821 0.5
Schistosoma mansoni tar DNA-binding protein 0.0128 0.3964 0.3786

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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