Detailed information for compound 994119

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 278.694 | Formula: C12H11ClN4O2
  • H donors: 0 H acceptors: 4 LogP: 2.87 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)/C=C\n1nnc(n1)c1ccccc1Cl
  • InChi: 1S/C12H11ClN4O2/c1-2-19-11(18)7-8-17-15-12(14-16-17)9-5-3-4-6-10(9)13/h3-8H,2H2,1H3/b8-7-
  • InChiKey: ZHJJBGJNOKRGOO-FPLPWBNLSA-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
Echinococcus multilocularis Solute carrier organic anion transporter family 0.003 0.0189 0.0189
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0063 0.0846 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0235 0.2169
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0114 1
Echinococcus granulosus Solute carrier organic anion transporter family 0.003 0.0189 0.0189
Echinococcus granulosus Dipeptidyl peptidase 9 0.0063 0.0846 0.0846
Echinococcus multilocularis importin subunit beta 1 0.0032 0.0235 0.0235
Echinococcus multilocularis snurportin 1 0.0345 0.6439 0.6439
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0063 0.0846 1
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0024 0.0066 0.5
Onchocerca volvulus 0.003 0.0189 0.0552
Brugia malayi prostaglandin transporter 0.003 0.0189 0.0325
Loa Loa (eye worm) hypothetical protein 0.003 0.0189 0.0293
Brugia malayi sodium-independent organic anion transporter family protein 0.003 0.0189 0.0325
Schistosoma mansoni hypothetical protein 0.0033 0.0257 0.0257
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0024 0.0066 0.0172
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0188 0.3319 0.3319
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0235 0.2169
Schistosoma mansoni hypothetical protein 0.0033 0.0257 0.0257
Loa Loa (eye worm) hypothetical protein 0.003 0.0189 0.0293
Trypanosoma cruzi MFS transporter, putative 0.003 0.0189 0.157
Schistosoma mansoni hypothetical protein 0.0033 0.0257 0.0257
Onchocerca volvulus 0.003 0.0189 0.0552
Brugia malayi prolyl oligopeptidase family protein 0.0188 0.3319 0.5716
Schistosoma mansoni hypothetical protein 0.0033 0.0257 0.0257
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0345 0.6439 1
Brugia malayi STAT protein, DNA binding domain containing protein 0.0313 0.5807 1
Schistosoma mansoni hypothetical protein 0.0525 1 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0026 0.0114 0.0615
Schistosoma mansoni hypothetical protein 0.0345 0.6439 0.6439
Loa Loa (eye worm) hypothetical protein 0.0048 0.0551 0.0856
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0257 0.0257
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0114 1
Brugia malayi latrophilin 2 splice variant baaae 0.0072 0.1026 0.1767
Brugia malayi Importin beta-1 subunit 0.0032 0.0235 0.0405
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0024 0.0066 0.0114
Toxoplasma gondii 1,3-beta-glucan synthase component protein 0.0214 0.3845 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0106 0.1689 0.2908
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0024 0.0066 0.0066
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0188 0.3319 0.972
Plasmodium falciparum importin beta, putative 0.0032 0.0235 1
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0063 0.0846 0.0846
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0106 0.1689 0.2908
Plasmodium vivax importin-beta 2, putative 0.0032 0.0235 1
Schistosoma mansoni organic anion transporter 0.003 0.0189 0.0189
Echinococcus multilocularis geminin 0.0525 1 1
Onchocerca volvulus Putative organic anion transporter 0.003 0.0189 0.0552
Brugia malayi RNA, U transporter 1 0.0092 0.1417 0.2441
Echinococcus granulosus snurportin 1 0.0345 0.6439 0.6439
Schistosoma mansoni hypothetical protein 0.0525 1 1
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0063 0.0846 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0235 0.0365
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0188 0.3319 0.3319
Schistosoma mansoni organic anion transporter 0.003 0.0189 0.0189
Brugia malayi prolyl oligopeptidase family protein 0.0063 0.0846 0.1458
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0063 0.0846 1
Loa Loa (eye worm) STAT protein 0.0313 0.5807 0.9018
Echinococcus granulosus GTP binding nuclear protein Ran 0.0024 0.0066 0.0066
Brugia malayi hypothetical protein 0.003 0.0189 0.0325
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0063 0.0846 0.2201
Brugia malayi sodium-independent organic anion transporter family protein 0.003 0.0189 0.0325
Echinococcus granulosus organic anion transporting polypeptide 30B 0.003 0.0189 0.0189
Loa Loa (eye worm) hypothetical protein 0.003 0.0189 0.0293
Entamoeba histolytica hypothetical protein 0.0026 0.0114 1
Toxoplasma gondii HEAT repeat-containing protein 0.0032 0.0235 0.0612
Echinococcus granulosus GPCR family 2 0.0033 0.0257 0.0257
Echinococcus granulosus importin subunit beta 1 0.0032 0.0235 0.0235
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0257 0.0257
Schistosoma mansoni ran 0.0024 0.0066 0.0066
Brugia malayi hypothetical protein 0.003 0.0189 0.0325
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0193 0.3415 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0189 0.0293
Loa Loa (eye worm) hypothetical protein 0.0072 0.1026 0.1594
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0257 0.0399
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0257 0.0442
Loa Loa (eye worm) prolyl oligopeptidase 0.0188 0.3319 0.5155
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0257 0.0257
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0188 0.3319 0.3319
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0106 0.1689 0.2623
Schistosoma mansoni importin beta-1 0.0032 0.0235 0.0235
Toxoplasma gondii transporter, major facilitator family protein 0.003 0.0189 0.049
Echinococcus multilocularis organic anion transporting polypeptide 30B 0.003 0.0189 0.0189
Loa Loa (eye worm) hypothetical protein 0.003 0.0189 0.0293
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0024 0.0066 0.0103
Onchocerca volvulus Putative organic anion transporter 0.003 0.0189 0.0552
Leishmania major importin beta-1 subunit, putative 0.0026 0.0114 0.0615
Echinococcus multilocularis GPCR, family 2 0.0033 0.0257 0.0257
Trichomonas vaginalis importin beta-1, putative 0.0026 0.0114 1
Onchocerca volvulus 0.003 0.0189 0.0552
Loa Loa (eye worm) hypothetical protein 0.0033 0.0257 0.0399
Loa Loa (eye worm) hypothetical protein 0.0193 0.3415 0.5303
Brugia malayi hypothetical protein 0.0048 0.0551 0.0949
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0257 0.0257
Onchocerca volvulus 0.003 0.0189 0.0552
Loa Loa (eye worm) hypothetical protein 0.003 0.0189 0.0293
Onchocerca volvulus 0.003 0.0189 0.0552
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0063 0.0846 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0257 0.0442
Schistosoma mansoni hypothetical protein 0.0072 0.1026 0.1026
Brugia malayi sodium-independent organic anion transporter family protein 0.003 0.0189 0.0325
Schistosoma mansoni ran 0.0024 0.0066 0.0066
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0063 0.0846 0.0846
Loa Loa (eye worm) sodium-independent organic anion transporter 0.003 0.0189 0.0293
Brugia malayi N-terminal motif family protein 0.0193 0.3415 0.588
Onchocerca volvulus Putative organic anion transporter 0.003 0.0189 0.0552
Loa Loa (eye worm) hypothetical protein 0.0106 0.1689 0.2623
Loa Loa (eye worm) hypothetical protein 0.003 0.0189 0.0293

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Inhibition of CRM1-mediated nucleocytoplasmic transport of RevM5 mutant in HEK293 cells assessed as RevM5-GFP nuclear localization at 10 ug/ml after 2 hrs by fluorescence microscopy ChEMBL. 18835718
Activity (binding) Inhibition of CRM1-mediated nucleocytoplasmic transport of RevM5 mutant in HEK293 cells assessed as RevM5-GFP nuclear localization at 2 ug/ml after 2 hrs by fluorescence microscopy ChEMBL. 18835718
Activity (binding) Inhibition of CRM1-mediated nucleocytoplasmic transport of RevM5 mutant in HEK293 cells assessed as RevM5-GFP nuclear localization at 0.08 ug/ml after 2 hrs by fluorescence microscopy ChEMBL. 18835718

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

1 literature reference was collected for this gene.

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