Detailed information for compound 1902655

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 231.204 | Formula: C12H9NO4
  • H donors: 1 H acceptors: 3 LogP: 2.09 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc2c(c1)oc(=O)c(c2O)C#N
  • InChi: 1S/C12H9NO4/c1-2-16-7-3-4-8-10(5-7)17-12(15)9(6-13)11(8)14/h3-5,14H,2H2,1H3
  • InChiKey: UYZSGSYGYXAAMU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Schistosoma mansoni kinase 0.0379 0.4971 0.4964
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.002 0.004 0.0272
Echinococcus multilocularis regulator of G protein signaling 7 0.0026 0.0128 0.0102
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.004 0.0324 0.2064
Schistosoma mansoni ras GTP exchange factor 0.0019 0.0026 0.0012
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0026 0.0128 0.0102
Schistosoma mansoni hypothetical protein 0.0066 0.0683 0.067
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0072 0.0761 0.517
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0064 0.0649 0.0624
Loa Loa (eye worm) TAR-binding protein 0.0188 0.2349 0.2329
Schistosoma mansoni hypothetical protein 0.0167 0.2058 0.2047
Trichomonas vaginalis CAMK family protein kinase 0.0747 1 1
Brugia malayi hypothetical protein 0.0096 0.1083 0.1059
Brugia malayi Latrophilin receptor protein 2 0.0138 0.1659 0.1636
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0047 0.0413 0.281
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0019 0.0026 0.0012
Echinococcus granulosus regulator of G protein signaling 7 0.0026 0.0128 0.0102
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0039 0.0313 0.2129
Schistosoma mansoni serine/threonine protein kinase 0.0747 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0435 0.5733 0.5721
Trichomonas vaginalis CAMK family protein kinase 0.0747 1 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0064 0.0649 0.0624
Schistosoma mansoni regulator of G protein signaling 0.0026 0.0128 0.0115
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0138 0.1659 0.1636
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0019 0.0026 0.0012
Trichomonas vaginalis glutaminase, putative 0.0503 0.6661 0.6652
Loa Loa (eye worm) hypothetical protein 0.0027 0.0143 0.0117
Brugia malayi glutaminase DH11.1 0.0503 0.6661 0.6652
Schistosoma mansoni hypothetical protein 0.0138 0.1659 0.1647
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0747 1 1
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0048 0.0434 0.2948
Echinococcus multilocularis regulator of G protein signaling 7 0.0026 0.0128 0.0102
Loa Loa (eye worm) hypothetical protein 0.0026 0.0128 0.0102
Schistosoma mansoni hypothetical protein 0.0138 0.1659 0.1647
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0031 0.0202 0.0559
Toxoplasma gondii hypothetical protein 0.0026 0.0128 0.0128
Mycobacterium leprae Polyketide synthase Pks13 0.0072 0.0761 1
Brugia malayi isocitrate dehydrogenase 0.0064 0.0649 0.0624
Echinococcus multilocularis geminin 0.0167 0.2058 0.2037
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0747 1 1
Brugia malayi DIX domain containing protein 0.0026 0.0128 0.0102
Schistosoma mansoni dishevelled 0.0026 0.0128 0.0115
Loa Loa (eye worm) DIX domain-containing protein 0.0026 0.0128 0.0102
Echinococcus multilocularis segment polarity protein dishevelled 0.0026 0.0128 0.0102
Brugia malayi RNA binding protein 0.0188 0.2349 0.2329
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0026 0.0128 0.0102
Mycobacterium ulcerans Type I modular polyketide synthase 0.0048 0.0434 0.0347
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0048 0.0434 0.2948
Toxoplasma gondii type I fatty acid synthase, putative 0.0051 0.0475 0.217
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0045 0.039 0.0365
Loa Loa (eye worm) hypothetical protein 0.0435 0.5733 0.5721
Trypanosoma cruzi PAB1-binding protein , putative 0.0148 0.1802 0.1781
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0124 0.1471 1
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0124 0.1471 0.1955
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0051 0.0475 0.481
Plasmodium falciparum ataxin-2 like protein, putative 0.0148 0.1802 1
Loa Loa (eye worm) hypothetical protein 0.0138 0.1659 0.1636
Echinococcus multilocularis isocitrate dehydrogenase 0.0064 0.0649 0.0624
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0747 1 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0747 1 1
Loa Loa (eye worm) hypothetical protein 0.0297 0.3847 0.3831
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0026 0.0128 0.0115
Schistosoma mansoni tar DNA-binding protein 0.0188 0.2349 0.2338
Trypanosoma brucei polo-like protein kinase 0.0747 1 1
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0051 0.0475 0.3227
Trichomonas vaginalis CAMK family protein kinase 0.037 0.4836 0.4822
Toxoplasma gondii LsmAD domain-containing protein 0.0148 0.1802 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0138 0.1659 0.1636
Trypanosoma brucei PAB1-binding protein , putative 0.0148 0.1802 0.129
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0048 0.0434 0.0347
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0048 0.0434 0.4065
Mycobacterium ulcerans polyketide synthase 0.0048 0.0434 0.0347
Mycobacterium ulcerans lipoprotein LpqF 0.006 0.0588 0.0586
Schistosoma mansoni dep domain containing protein 0.0026 0.0128 0.0115
Mycobacterium ulcerans thioesterase TesA 0.004 0.0324 0.0176
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0019 0.0026 0.0012
Toxoplasma gondii isocitrate dehydrogenase 0.0064 0.0649 0.3195
Trichomonas vaginalis CAMK family protein kinase 0.037 0.4836 0.4822
Brugia malayi hypothetical protein 0.0026 0.0128 0.0102
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0064 0.0649 0.0624
Brugia malayi regulator of G-protein signaling egl-10 0.0026 0.0128 0.0102
Loa Loa (eye worm) glutaminase 2 0.0503 0.6661 0.6652
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0064 0.0649 0.0064
Loa Loa (eye worm) hypothetical protein 0.0026 0.0128 0.0102
Schistosoma mansoni hypothetical protein 0.0138 0.1659 0.1647
Onchocerca volvulus Fatty acid synthase homolog 0.0087 0.0964 0.094
Brugia malayi latrophilin 2 splice variant baaae 0.0297 0.3847 0.3831
Brugia malayi N-terminal motif family protein 0.0528 0.7 0.6992
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0051 0.0475 0.0411
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.006 0.0588 0.3997
Trypanosoma cruzi polo-like protein kinase, putative 0.0747 1 1
Brugia malayi Isocitrate dehydrogenase 0.0064 0.0649 0.0624
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0048 0.0434 0.2948
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0051 0.0475 0.0411
Mycobacterium ulcerans Type I modular polyketide synthase 0.0048 0.0434 0.0347
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0064 0.0649 0.4408
Brugia malayi TAR-binding protein 0.0188 0.2349 0.2329
Echinococcus granulosus segment polarity protein dishevelled 0.0026 0.0128 0.0102
Loa Loa (eye worm) hypothetical protein 0.0528 0.7 0.6992
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0019 0.0026 0.0012
Brugia malayi Calcitonin receptor-like protein seb-1 0.0435 0.5733 0.5721
Loa Loa (eye worm) fatty acid synthase 0.0048 0.0425 0.04
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0027 0.0149 0.101
Loa Loa (eye worm) hypothetical protein 0.0026 0.0128 0.0102
Loa Loa (eye worm) hypothetical protein 0.023 0.2923 0.2905
Mycobacterium leprae Probable polyketide synthase Pks1 0.0051 0.0475 0.481
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0064 0.0649 0.0636
Schistosoma mansoni hypothetical protein 0.0138 0.1659 0.1647
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0072 0.0761 0.517
Onchocerca volvulus Serine\/threonine kinase homolog 0.0747 1 1
Onchocerca volvulus 0.0026 0.0128 0.0102
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0048 0.0434 0.4065
Loa Loa (eye worm) isocitrate dehydrogenase 0.0064 0.0649 0.0624
Trichomonas vaginalis CAMK family protein kinase 0.0747 1 1
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0026 0.0128 0.0102
Echinococcus granulosus segment polarity protein dishevelled 0.0026 0.0128 0.0102
Brugia malayi AMP-binding enzyme family protein 0.0045 0.039 0.0365
Schistosoma mansoni tar DNA-binding protein 0.0188 0.2349 0.2338
Mycobacterium ulcerans thioesterase 0.004 0.0324 0.0176
Trypanosoma cruzi PAB1-binding protein , putative 0.0148 0.1802 0.1781
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0026 0.0128 0.0102
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0188 0.2349 0.2329
Loa Loa (eye worm) hypothetical protein 0.0081 0.0883 0.0859
Mycobacterium tuberculosis Probable thioesterase TesA 0.004 0.0324 0.2199
Loa Loa (eye worm) hypothetical protein 0.0148 0.1802 0.1781
Entamoeba histolytica serine/threonine protein kinase, putative 0.0747 1 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0528 0.7 0.6992
Trichomonas vaginalis CAMK family protein kinase 0.0747 1 1
Echinococcus granulosus geminin 0.0167 0.2058 0.2037
Echinococcus granulosus GPCR family 2 0.0138 0.1659 0.1636
Trichomonas vaginalis CAMK family protein kinase 0.0747 1 1
Echinococcus granulosus regulator of G protein signaling 7 0.0026 0.0128 0.0102
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0138 0.1659 0.1636
Brugia malayi photoreceptor-specific nuclear receptor 0.023 0.2923 0.2905
Plasmodium vivax ataxin-2 like protein, putative 0.0148 0.1802 1
Toxoplasma gondii type I fatty acid synthase, putative 0.0034 0.0243 0.0805
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0747 1 1
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0048 0.0434 0.0408
Toxoplasma gondii isocitrate dehydrogenase 0.0064 0.0649 0.3195
Schistosoma mansoni glutaminase 0.0503 0.6661 0.6657
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0051 0.0475 0.3227
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.1383 0.136
Schistosoma mansoni tar DNA-binding protein 0.0188 0.2349 0.2338
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.006 0.0588 0.6867
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0039 0.0305 0.0147
Brugia malayi RNA recognition motif domain containing protein 0.0188 0.2349 0.2329
Mycobacterium ulcerans glutaminase 0.0503 0.6661 1
Loa Loa (eye worm) glutaminase 0.0503 0.6661 0.6652
Schistosoma mansoni dishevelled 0.0026 0.0128 0.0115
Onchocerca volvulus 0.0045 0.039 0.0365
Loa Loa (eye worm) acyl carrier protein 0.0022 0.0077 0.005
Echinococcus granulosus Pleckstrin G protein interacting region 0.0026 0.0128 0.0102
Loa Loa (eye worm) RNA binding protein 0.0188 0.2349 0.2329
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0039 0.0305 0.172
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0051 0.0475 0.481
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0035 0.0248 0.1683
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0435 0.5733 0.5721
Mycobacterium ulcerans polyketide synthase Pks13 0.0072 0.0761 0.0854
Trichomonas vaginalis CAMK family protein kinase 0.0747 1 1
Onchocerca volvulus 0.0084 0.0923 0.0899
Trichomonas vaginalis CAMK family protein kinase 0.0747 1 1
Giardia lamblia Kinase, PLK 0.0747 1 0.5
Echinococcus multilocularis tar DNA binding protein 0.0188 0.2349 0.2329
Schistosoma mansoni tar DNA-binding protein 0.0188 0.2349 0.2338
Leishmania major hypothetical protein, conserved 0.0148 0.1802 0.1234
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0066 0.0683 0.0658
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0138 0.1659 0.1636
Schistosoma mansoni tar DNA-binding protein 0.0188 0.2349 0.2338
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0064 0.0649 0.0624
Brugia malayi MH2 domain containing protein 0.0118 0.1383 0.136
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0138 0.1659 0.1636
Plasmodium falciparum ataxin-2 like protein, putative 0.0148 0.1802 1
Brugia malayi hypothetical protein 0.0026 0.0128 0.0102
Schistosoma mansoni hypothetical protein 0.0167 0.2058 0.2047
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.1383 0.136
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0064 0.0649 0.0624
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0039 0.0305 0.0147
Schistosoma mansoni hypothetical protein 0.0297 0.3847 0.3838
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0066 0.0683 0.0658
Loa Loa (eye worm) latrophilin receptor protein 2 0.0138 0.1659 0.1636
Echinococcus granulosus tar DNA binding protein 0.0188 0.2349 0.2329
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0051 0.0475 0.3227
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0047 0.0413 0.281
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0091 0.1026 0.1002
Echinococcus multilocularis segment polarity protein dishevelled 0.0026 0.0128 0.0102
Brugia malayi hypothetical protein 0.0148 0.1802 0.1781
Schistosoma mansoni z-protein (S1r protein) 0.0026 0.0128 0.0115
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0064 0.0649 0.0624
Echinococcus multilocularis GPCR, family 2 0.0138 0.1659 0.1636
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0064 0.0649 0.0064
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0045 0.039 0.2653
Mycobacterium ulcerans Type I modular polyketide synthase 0.0048 0.0434 0.0347
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0064 0.0649 0.0624
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0026 0.0128 0.0102
Mycobacterium ulcerans polyketide synthase 0.0051 0.0475 0.0411

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.