Detailed information for compound 903705

Basic information

Technical information
  • TDR Targets ID: 903705
  • Name: 2-methoxyethyl 2-amino-7,7-dimethyl-4-(2-nitr ophenyl)-5-oxo-6,8-dihydro-4H-chromene-3-carb oxylate
  • MW: 416.424 | Formula: C21H24N2O7
  • H donors: 1 H acceptors: 4 LogP: 2.64 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCOC(=O)C1=C(N)OC2=C(C1c1ccccc1[N+](=O)[O-])C(=O)CC(C2)(C)C
  • InChi: 1S/C21H24N2O7/c1-21(2)10-14(24)17-15(11-21)30-19(22)18(20(25)29-9-8-28-3)16(17)12-6-4-5-7-13(12)23(26)27/h4-7,16H,8-11,22H2,1-3H3
  • InChiKey: RTBMAFAKTQZEPK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-amino-7,7-dimethyl-4-(2-nitrophenyl)-5-oxo-6,8-dihydro-4H-chromene-3-carboxylic acid 2-methoxyethyl ester
  • 2-amino-5-keto-7,7-dimethyl-4-(2-nitrophenyl)-6,8-dihydro-4H-chromene-3-carboxylic acid 2-methoxyethyl ester
  • EU-0005185
  • ChemDiv1_003728
  • A0531/0024554
  • UNM000000555301

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 ap endonuclease 0.0019 0.0221 0.0221
Loa Loa (eye worm) hypothetical protein 0.005 0.2484 0.9441
Brugia malayi hypothetical protein 0.0047 0.225 0.9057
Echinococcus multilocularis C type lectin domian containing protein 0.0047 0.225 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.1911 1
Brugia malayi Inositol-1 0.0042 0.1911 0.7692
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0221 0.0983
Loa Loa (eye worm) hypothetical protein 0.0047 0.225 0.855
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.2185 0.971
Onchocerca volvulus 0.0047 0.225 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.2185 0.8302
Schistosoma mansoni hypothetical protein 0.0034 0.1334 0.1334
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0221 0.089
Plasmodium falciparum apical sushi protein 0.0047 0.225 1
Onchocerca volvulus 0.0047 0.225 0.5
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.1911 0.1728
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0042 0.1911 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.2185 0.2185
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0038 0.159 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.225 0.855
Onchocerca volvulus 0.0047 0.225 0.5
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0042 0.1911 1
Toxoplasma gondii rhoptry neck protein RON1 0.0047 0.225 1
Onchocerca volvulus 0.0047 0.225 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.2185 0.2185
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.2484 0.9441
Loa Loa (eye worm) hypothetical protein 0.0047 0.225 0.855
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.2484 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.2484 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.2632 1
Onchocerca volvulus 0.0047 0.225 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.225 0.855
Trypanosoma brucei RNA helicase, putative 0.0153 1 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0221 0.5
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0042 0.1911 1
Brugia malayi pregnancy-associated plasma protein-A 0.0047 0.225 0.9057
Onchocerca volvulus 0.0047 0.225 0.5
Trichomonas vaginalis inositol monophosphatase, putative 0.0042 0.1911 1
Echinococcus granulosus c4b binding protein beta chain 0.0047 0.225 1
Schistosoma mansoni inositol monophosphatase 0.0042 0.1911 0.1911
Brugia malayi hypothetical protein 0.0047 0.225 0.9057
Echinococcus multilocularis inositol monophosphatase 1 0.0042 0.1911 0.8493
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0042 0.1911 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.2185 0.8794
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0221 0.0983
Schistosoma mansoni inositol monophosphatase 0.0042 0.1911 0.1911
Loa Loa (eye worm) pregnancy-associated plasma protein-E 0.0047 0.225 0.855
Schistosoma mansoni c4b-binding protein beta chain 0.0047 0.225 0.225
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0042 0.1911 0.8329
Echinococcus granulosus C type lectin domian containing protein 0.0047 0.225 1
Brugia malayi hypothetical protein 0.0047 0.225 0.9057
Plasmodium vivax apical sushi protein, putative 0.0047 0.225 1
Brugia malayi GCC2 and GCC3 family protein 0.0047 0.225 0.9057
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.1911 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.1911 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.225 0.855
Onchocerca volvulus 0.0047 0.225 0.5
Onchocerca volvulus 0.0047 0.225 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.2185 0.2185
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.2185 0.971
Brugia malayi hypothetical protein 0.0047 0.225 0.9057
Onchocerca volvulus 0.0047 0.225 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.225 0.855
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.1334 0.5371
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0221 0.084
Loa Loa (eye worm) hypothetical protein 0.0047 0.225 0.855
Brugia malayi hypothetical protein 0.0047 0.225 0.9057
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.2185 0.971
Brugia malayi Sushi domain 0.0047 0.225 0.9057
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0038 0.159 1
Brugia malayi hypothetical protein 0.0047 0.225 0.9057
Loa Loa (eye worm) hypothetical protein 0.0034 0.1334 0.5071
Loa Loa (eye worm) inositol-1 0.0042 0.1911 0.7262
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0042 0.1911 1
Onchocerca volvulus 0.0047 0.225 0.5
Schistosoma mansoni ap endonuclease 0.0019 0.0221 0.0221
Toxoplasma gondii rhoptry neck protein RON9 0.0047 0.225 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0221 0.5
Brugia malayi hypothetical protein 0.0047 0.225 0.9057
Echinococcus multilocularis c4b binding protein beta chain 0.0047 0.225 1
Echinococcus granulosus inositol monophosphatase 1 0.0042 0.1911 0.8493
Loa Loa (eye worm) hypothetical protein 0.0047 0.225 0.855
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.2185 0.971

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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