Detailed information for compound 1011228

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 303.311 | Formula: C19H13NO3
  • H donors: 0 H acceptors: 2 LogP: 4.43 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Oc1ccc(cc1)c1oc2c(n1)c1ccccc1cc2
  • InChi: 1S/C19H13NO3/c1-12(21)22-15-9-6-14(7-10-15)19-20-18-16-5-3-2-4-13(16)8-11-17(18)23-19/h2-11H,1H3
  • InChiKey: SHPDJRVURUILFF-UHFFFAOYSA-N  

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 granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.038 0.0537
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0129 0.0129
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0138 0.2674 0.2674
Loa Loa (eye worm) hypothetical protein 0.0021 0.0129 0.0129
Brugia malayi Cyclin, N-terminal domain containing protein 0.0035 0.0443 0.0443
Brugia malayi nuclear receptor NHR-88 0.0021 0.0129 0.0129
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0129 0.0129
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0129 0.0129
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0129 0.0129
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0129 0.0129
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0208 0.4193 0.4193
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0483 0.009
Schistosoma mansoni cyclins 0.0035 0.0443 0.0965
Schistosoma mansoni serine/threonine protein kinase 0.0171 0.3386 1
Schistosoma mansoni intermediate filament proteins 0.0027 0.0276 0.0451
Giardia lamblia Kinase, CMGC CDK 0.0171 0.3386 1
Plasmodium vivax protein kinase Crk2 0.0171 0.3386 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0102 0.189 0.189
Brugia malayi photoreceptor-specific nuclear receptor 0.0261 0.5336 0.5336
Onchocerca volvulus 0.0027 0.0276 0.0314
Schistosoma mansoni survival motor neuron protein 0.0048 0.0727 0.1835
Loa Loa (eye worm) hypothetical protein 0.0037 0.0483 0.0483
Echinococcus multilocularis cyclin dependent kinase 1 0.0171 0.3386 0.6962
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0328 0.0426
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.0998 0.1884
Onchocerca volvulus 0.0035 0.0443 0.067
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0129 0.0129
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0483 0.0483
Loa Loa (eye worm) hypothetical protein 0.0021 0.0129 0.0129
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0035 0.0443 0.0671
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0171 0.3386 1
Echinococcus multilocularis cyclins 0.0035 0.0443 0.0671
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0129 0.0129
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.038 0.0537
Loa Loa (eye worm) hypothetical protein 0.0037 0.0483 0.0483
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0328 0.0612
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0483 0.0504
Loa Loa (eye worm) hypothetical protein 0.0037 0.0483 0.0483
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0328 0.0612
Loa Loa (eye worm) cyclin domain-containing protein 0.0476 1 1
Echinococcus multilocularis cyclins 0.0035 0.0443 0.0671
Echinococcus multilocularis cyclin B3 1 0.0035 0.0443 0.0671
Loa Loa (eye worm) hypothetical protein 0.0021 0.0129 0.0129
Onchocerca volvulus 0.0037 0.0483 0.0754
Onchocerca volvulus 0.0027 0.0276 0.0314
Brugia malayi beta-lactamase family protein 0.0037 0.0483 0.0483
Loa Loa (eye worm) hypothetical protein 0.0261 0.5336 0.5336
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0138 0.2674 0.544
Echinococcus granulosus survival motor neuron protein 1 0.0236 0.4807 1
Entamoeba histolytica cell division protein kinase 2, putative 0.0171 0.3386 1
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0998 0.2666
Trypanosoma cruzi cdc2-related kinase 1 0.0171 0.3386 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.038 0.038
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0102 0.189 0.189
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.0998 0.2361
Loa Loa (eye worm) hypothetical protein 0.0021 0.0129 0.0129
Schistosoma mansoni cyclin B 0.0035 0.0443 0.0965
Echinococcus multilocularis lamin 0.0027 0.0276 0.0314
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0138 0.2674 0.544
Echinococcus granulosus cyclin b3 0.0035 0.0443 0.0671
Echinococcus granulosus cyclins 0.0035 0.0443 0.0671
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0276 0.0276
Brugia malayi nuclear hormone receptor 0.0021 0.0129 0.0129
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0171 0.3386 0.3386
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0483 0.009
Onchocerca volvulus 0.0237 0.4816 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0328 0.0426
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0483 0.1085
Schistosoma mansoni hypothetical protein 0.0032 0.038 0.0771
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0129 0.0129
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0129 0.0129
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0129 0.0129
Plasmodium falciparum protein kinase 5 0.0171 0.3386 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.2674 0.7814
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0998 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0129 0.0129
Toxoplasma gondii ABC1 family protein 0.0037 0.0483 0.0714
Loa Loa (eye worm) hypothetical protein 0.0169 0.3346 0.3346
Loa Loa (eye worm) hypothetical protein 0.0021 0.0129 0.0129
Brugia malayi beta-lactamase 0.0037 0.0483 0.0483
Schistosoma mansoni cyclin B3 0.0035 0.0443 0.0965
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0328 0.0221
Trypanosoma brucei cdc2-related kinase 3 0.0171 0.3386 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.189 0.189
Echinococcus granulosus cyclins 0.0035 0.0443 0.0671
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.1079 0.1079
Schistosoma mansoni hypothetical protein 0.0032 0.038 0.0771
Onchocerca volvulus 0.0037 0.0483 0.0754
Echinococcus multilocularis cyclins 0.0035 0.0443 0.0671
Trypanosoma cruzi cdc2-related kinase 3 0.0171 0.3386 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0328 0.0612
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0129 0.0129
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0129 0.0129
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0138 0.2674 0.544
Schistosoma mansoni tar DNA-binding protein 0.0064 0.1079 0.2915
Loa Loa (eye worm) hypothetical protein 0.0032 0.038 0.038
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0328 0.0612
Schistosoma mansoni serine/threonine protein kinase 0.0171 0.3386 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0035 0.0443 0.0443
Echinococcus multilocularis cyclins 0.0035 0.0443 0.0671
Echinococcus granulosus lamin dm0 0.0027 0.0276 0.0314
Brugia malayi TAR-binding protein 0.0064 0.1079 0.1079
Loa Loa (eye worm) hypothetical protein 0.0037 0.0483 0.0483
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0483 0.0133
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.0998 0.1856
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0171 0.3386 1
Onchocerca volvulus 0.0037 0.0483 0.0754
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0483 0.0133
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.1079 0.1079
Brugia malayi RNA binding protein 0.0064 0.1079 0.1079
Schistosoma mansoni hypothetical protein 0.0166 0.3292 0.9712
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0483 0.0133
Brugia malayi intermediate filament protein 0.0027 0.0276 0.0276
Brugia malayi Latrophilin receptor protein 2 0.0032 0.038 0.038
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0236 0.48 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0129 0.0129
Loa Loa (eye worm) hypothetical protein 0.0021 0.0129 0.0129
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0129 0.0129
Schistosoma mansoni tar DNA-binding protein 0.0064 0.1079 0.2915
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0276 0.0276
Echinococcus multilocularis cyclin dependent kinase 5 0.0171 0.3386 0.6962
Brugia malayi Protein kinase domain containing protein 0.0171 0.3386 0.3386
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0483 0.009
Loa Loa (eye worm) hypothetical protein 0.003 0.0328 0.0328
Brugia malayi Cyclin, N-terminal domain containing protein 0.0035 0.0443 0.0443
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0998 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.2674 0.7814
Brugia malayi Pre-SET motif family protein 0.003 0.0328 0.0328
Loa Loa (eye worm) RNA binding protein 0.0064 0.1079 0.1079
Schistosoma mansoni lamin 0.0027 0.0276 0.0451
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0483 0.0755
Echinococcus multilocularis cyclin dependent kinase 0.0171 0.3386 0.6962
Schistosoma mansoni hypothetical protein 0.0032 0.038 0.0771
Echinococcus granulosus cyclin dependent kinase 5 0.0171 0.3386 0.6962
Echinococcus granulosus cyclin B3 1 0.0035 0.0443 0.0671
Trypanosoma cruzi cdc2-related kinase 3 0.0171 0.3386 1
Brugia malayi steroid hormone receptor 0.0021 0.0129 0.0129
Schistosoma mansoni tar DNA-binding protein 0.0064 0.1079 0.2915
Echinococcus granulosus GPCR family 2 0.0032 0.038 0.0537
Leishmania major hypothetical protein, conserved 0.0037 0.0483 0.0133
Trichomonas vaginalis CMGC family protein kinase 0.0171 0.3386 0.673
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.2674 0.7814
Echinococcus granulosus cyclin dependent kinase 1 0.0171 0.3386 0.6962
Loa Loa (eye worm) hypothetical protein 0.0236 0.4807 0.4807
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.0998 0.1193
Loa Loa (eye worm) cyclin domain-containing protein 0.0035 0.0443 0.0443
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0171 0.3386 0.3386
Schistosoma mansoni hypothetical protein 0.007 0.1191 0.3261
Loa Loa (eye worm) beta-lactamase 0.0037 0.0483 0.0483
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0129 0.0129
Echinococcus multilocularis survival motor neuron protein 1 0.0236 0.4807 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0129 0.0129
Echinococcus granulosus cyclin B 0.0035 0.0443 0.0671
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0129 0.0129
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.038 0.038
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0998 0.2666
Onchocerca volvulus 0.0048 0.0727 0.1275
Echinococcus multilocularis cyclins 0.0035 0.0443 0.0671
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0483 0.009
Entamoeba histolytica cell division protein kinase 2, putative 0.0171 0.3386 1
Echinococcus multilocularis cyclin b3 0.0035 0.0443 0.0671
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0483 0.0755
Echinococcus granulosus intermediate filament protein 0.0027 0.0276 0.0314
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0171 0.3386 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0483 0.1085
Schistosoma mansoni hypothetical protein 0.0032 0.038 0.0771
Echinococcus multilocularis cyclin dependent kinase 1 0.0171 0.3386 0.6962
Brugia malayi ecdysteroid receptor 0.0021 0.0129 0.0129
Schistosoma mansoni hypothetical protein 0.0048 0.0727 0.1835
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0129 0.0129
Loa Loa (eye worm) hypothetical protein 0.0021 0.0129 0.0129
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0483 0.5
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0171 0.3386 0.6962
Echinococcus multilocularis geminin 0.0166 0.3292 0.6761
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0129 0.0129
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0998 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0443 0.0443
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0727 0.0727
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0483 0.0483
Giardia lamblia Kinase, CMGC CDK 0.0171 0.3386 1
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0483 0.009
Loa Loa (eye worm) hypothetical protein 0.007 0.1191 0.1191
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.0998 0.1856
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0035 0.0443 0.0671
Loa Loa (eye worm) hypothetical protein 0.0037 0.0483 0.0483
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0171 0.3386 0.3386
Schistosoma mansoni lamin 0.0027 0.0276 0.0451
Onchocerca volvulus 0.003 0.0328 0.0425
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0138 0.2674 0.544
Loa Loa (eye worm) hypothetical protein 0.0037 0.0483 0.0483
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0102 0.189 0.189
Brugia malayi beta-lactamase family protein 0.0037 0.0483 0.0483
Schistosoma mansoni hypothetical protein 0.0166 0.3292 0.9712
Echinococcus granulosus cyclins 0.0035 0.0443 0.0671
Echinococcus multilocularis lamin dm0 0.0027 0.0276 0.0314
Echinococcus granulosus cyclins 0.0035 0.0443 0.0671
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0129 0.0129
Trichomonas vaginalis CMGC family protein kinase 0.0171 0.3386 0.673
Trichomonas vaginalis set domain proteins, putative 0.0237 0.4816 1
Echinococcus granulosus tar DNA binding protein 0.0064 0.1079 0.2029
Loa Loa (eye worm) TAR-binding protein 0.0064 0.1079 0.1079
Echinococcus multilocularis GPCR, family 2 0.0032 0.038 0.0537
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0276 0.0276
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0305 0.0375
Brugia malayi hypothetical protein 0.0236 0.4807 0.4807
Echinococcus multilocularis cyclins 0.0035 0.0443 0.0671
Loa Loa (eye worm) hypothetical protein 0.0027 0.0265 0.0265
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0129 0.0129
Echinococcus multilocularis cyclins 0.0035 0.0443 0.0671
Trypanosoma brucei cdc2-related kinase 1 0.0171 0.3386 1
Echinococcus multilocularis tar DNA binding protein 0.0064 0.1079 0.2029
Echinococcus granulosus lamin 0.0027 0.0276 0.0314
Schistosoma mansoni tar DNA-binding protein 0.0064 0.1079 0.2915
Trypanosoma cruzi cdc2-related kinase 1 0.0171 0.3386 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0328 0.0426
Trichomonas vaginalis CMGC family protein kinase 0.0171 0.3386 0.673
Mycobacterium leprae Probable lipase LipE 0.0037 0.0483 0.5
Trichomonas vaginalis esterase, putative 0.0037 0.0483 0.009
Loa Loa (eye worm) hypothetical protein 0.0035 0.0443 0.0443
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.038 0.0537
Echinococcus granulosus cyclin dependent kinase 0.0171 0.3386 0.6962
Echinococcus multilocularis musashi 0.0027 0.0276 0.0314
Brugia malayi Pre-SET motif family protein 0.0208 0.4193 0.4193
Echinococcus multilocularis cyclin B 0.0035 0.0443 0.0671
Echinococcus granulosus cyclins 0.0035 0.0443 0.0671
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0138 0.2674 0.2674
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.1191 0.1191
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0129 0.0129
Echinococcus granulosus geminin 0.0166 0.3292 0.6761
Loa Loa (eye worm) hypothetical protein 0.0027 0.0276 0.0276
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.038 0.0537
Schistosoma mansoni tar DNA-binding protein 0.0064 0.1079 0.2915
Brugia malayi cell division control protein 2 homolog 0.0171 0.3386 0.3386

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 31.1 % Inhibition of of PTP1B assessed as residual enzyme activity at 100 uM ChEMBL. 18436346

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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