Detailed information for compound 921409

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 314.336 | Formula: C17H18N2O4
  • H donors: 3 H acceptors: 3 LogP: 2.15 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(COc1cccc(c1)C)NCC(=O)Nc1ccc(cc1)O
  • InChi: 1S/C17H18N2O4/c1-12-3-2-4-15(9-12)23-11-17(22)18-10-16(21)19-13-5-7-14(20)8-6-13/h2-9,20H,10-11H2,1H3,(H,18,22)(H,19,21)
  • InChiKey: MNDPMTWPBSRDEY-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
Echinococcus granulosus neuroglian 0.0017 0.0072 0.0237
Loa Loa (eye worm) cytochrome P450 family protein 0.0016 0.0057 0.0189
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0016 0.0057 0.5
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0016 0.0057 0.5
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0016 0.0057 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0057
Brugia malayi Immunoglobulin I-set domain containing protein 0.0016 0.0063 0.0207
Echinococcus granulosus lachesin 0.001 0.0017 0.0057
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0016 0.0057 0.5
Schistosoma mansoni nephrin 0.001 0.0017 0.0057
Brugia malayi Immunoglobulin I-set domain containing protein 0.001 0.0017 0.0057
Schistosoma mansoni hypothetical protein 0.0016 0.0057 0.0189
Schistosoma mansoni Neurotrimin precursor (hNT) 0.001 0.0017 0.0055
Schistosoma mansoni serine/threonine protein kinase 0.001 0.0011 0.0035
Echinococcus multilocularis neuroglian 0.0017 0.0072 0.0237
Loa Loa (eye worm) transcription factor SMAD2 0.0121 0.088 0.2902
Onchocerca volvulus Dual specificity protein kinase TTK homolog 0.0397 0.3034 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0055
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0016 0.0057 0.5
Schistosoma mansoni titin 0.001 0.0017 0.0057
Schistosoma mansoni cell adhesion molecule 0.001 0.0017 0.0057
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.001 0.0017 0.0057
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0016 0.0057 0.5
Echinococcus multilocularis hemicentin 1 0.001 0.0017 0.0057
Echinococcus granulosus peroxidasin 0.001 0.0017 0.0057
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0057
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0016 0.0057 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0057
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0016 0.0057 0.5
Schistosoma mansoni roundabout 0.001 0.0017 0.0057
Brugia malayi Protein kinase domain containing protein 0.0397 0.3034 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.001 0.0017 0.0057
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0016 0.0057 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0016 0.0057 0.0189
Loa Loa (eye worm) hypothetical protein 0.0014 0.0043 0.0142
Echinococcus granulosus hemicentin 1 0.001 0.0017 0.0057
Trypanosoma brucei cytochrome P450, putative 0.0016 0.0057 0.5
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.001 0.0017 0.0055
Echinococcus multilocularis 0.0016 0.0057 0.0189
Brugia malayi Immunoglobulin I-set domain containing protein 0.001 0.0017 0.0057
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.001 0.0017 0.0057
Leishmania major cytochrome p450-like protein 0.0016 0.0057 0.5
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0016 0.0057 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0057
Leishmania major cytochrome p450-like protein 0.0016 0.0057 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.001 0.0017 0.0055
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0016 0.0057 0.5
Echinococcus multilocularis roundabout 2 0.0021 0.0098 0.0324
Brugia malayi Cytochrome P450 family protein 0.0016 0.0057 0.0189
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0016 0.0057 0.5
Echinococcus granulosus cytochrome P450 2K1 0.0016 0.0057 0.0189
Echinococcus multilocularis roundabout 2 0.001 0.0017 0.0057
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0055
Brugia malayi Immunoglobulin I-set domain containing protein 0.001 0.0011 0.0035
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0016 0.0057 0.5
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0016 0.0057 0.5
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0016 0.0057 0.5
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0016 0.0057 0.5
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0016 0.0057 0.5
Echinococcus granulosus roundabout 2 0.001 0.0017 0.0057
Loa Loa (eye worm) hypothetical protein 0.0021 0.0098 0.0324
Schistosoma mansoni titin 0.001 0.0011 0.0035
Brugia malayi Immunoglobulin I-set domain containing protein 0.001 0.0017 0.0057
Mycobacterium leprae putative cytochrome p450 0.0016 0.0057 0.5
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase 0.0397 0.3034 1
Schistosoma mansoni serine/threonine protein kinase 0.001 0.0011 0.0035
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.001 0.0017 0.0057
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0016 0.0057 0.5
Loa Loa (eye worm) CAMK protein kinase 0.001 0.0011 0.0035
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0057
Brugia malayi Immunoglobulin I-set domain containing protein 0.001 0.0017 0.0057
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0016 0.0057 0.5
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0016 0.0057 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0397 0.3034 0.5
Echinococcus multilocularis basement membrane specific heparan sulfate 0.001 0.0017 0.0055
Echinococcus granulosus contactin 0.001 0.0017 0.0057
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0055
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0013 0.0037 0.0122
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0016 0.0057 0.5
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.001 0.0017 0.0057
Schistosoma mansoni septate junction protein 0.001 0.0017 0.0057
Brugia malayi hypothetical protein 0.001 0.0017 0.0055
Brugia malayi Immunoglobulin I-set domain containing protein 0.001 0.0017 0.0057
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0016 0.0057 0.5
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0016 0.0057 0.5
Schistosoma mansoni nephrin 0.0017 0.0072 0.0237
Loa Loa (eye worm) TK/ROR protein kinase 0.001 0.0011 0.0035
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0016 0.0057 0.5
Brugia malayi Cytochrome P450 family protein 0.0016 0.0057 0.0189
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0016 0.0057 0.5
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0016 0.0057 0.5
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0016 0.0057 0.5
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.001 0.0017 0.0057
Loa Loa (eye worm) hypothetical protein 0.0021 0.0098 0.0324
Brugia malayi Fibronectin type III domain containing protein 0.001 0.0017 0.0055
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0057
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0016 0.0057 0.5
Schistosoma mansoni septate junction protein 0.001 0.0017 0.0057
Echinococcus granulosus twitchin 0.002 0.0092 0.0303
Loa Loa (eye worm) cytochrome P450 family protein 0.0016 0.0057 0.0189
Echinococcus granulosus titin 0.001 0.0011 0.0035
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0016 0.0057 0.5
Echinococcus granulosus dual specificity serine:threonine tyrosine 0.0397 0.3034 1
Echinococcus granulosus tyrosine protein kinase otk 0.001 0.0017 0.0057
Schistosoma mansoni vesicular amine transporter 0.001 0.0017 0.0055
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0055
Brugia malayi Cytochrome P450 family protein 0.0016 0.0057 0.0189
Brugia malayi Immunoglobulin I-set domain containing protein 0.001 0.0017 0.0057
Brugia malayi Immunoglobulin I-set domain containing protein 0.001 0.0017 0.0057
Echinococcus multilocularis Immunoglobulin 0.001 0.0017 0.0055
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0014 0.0043 0.0142
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0016 0.0057 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0057
Brugia malayi Immunoglobulin I-set domain containing protein 0.001 0.0017 0.0057
Brugia malayi Immunoglobulin I-set domain containing protein 0.001 0.0017 0.0057
Brugia malayi Immunoglobulin I-set domain containing protein 0.001 0.0011 0.0035
Echinococcus granulosus roundabout 2 0.001 0.0017 0.0057
Brugia malayi Cytochrome P450 family protein 0.0016 0.0057 0.0189
Mycobacterium leprae Conserved hypothetical protein 0.0016 0.0057 0.5
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0016 0.0057 0.5
Echinococcus multilocularis Immunoglobulin 0.001 0.0017 0.0055
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.001 0.0011 0.0035
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.001 0.0017 0.0057
Loa Loa (eye worm) MH2 domain-containing protein 0.0121 0.088 0.2902
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0055
Echinococcus multilocularis contactin neuroglian septate junction protein 0.001 0.0017 0.0057
Loa Loa (eye worm) CYP4Cod1 0.0016 0.0057 0.0189
Giardia lamblia Kinase, TTK 0.0397 0.3034 0.5
Schistosoma mansoni tyrosine kinase 0.0013 0.0037 0.0122
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0055
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0016 0.0057 0.5
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0016 0.0057 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0057
Loa Loa (eye worm) TK protein kinase 0.001 0.0011 0.0035
Brugia malayi MH2 domain containing protein 0.0121 0.088 0.2902
Echinococcus multilocularis lachesin 0.001 0.0017 0.0057
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.001 0.0011 0.0035
Echinococcus multilocularis peroxidasin 0.001 0.0017 0.0057
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0016 0.0057 0.5
Schistosoma mansoni cell adhesion molecule 0.001 0.0017 0.0057
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0016 0.0057 0.5
Echinococcus granulosus titin 0.001 0.0011 0.0035
Schistosoma mansoni cell adhesion molecule 0.0014 0.0043 0.0142
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0016 0.0057 0.5
Brugia malayi Prion-like- 0.001 0.0017 0.0057
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0016 0.0057 0.5
Brugia malayi cytochrome P450 0.0016 0.0057 0.0189
Loa Loa (eye worm) cytochrome P450 0.0016 0.0057 0.0189
Echinococcus granulosus roundabout 2 0.0021 0.0098 0.0324
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.001 0.0017 0.0057
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0016 0.0057 0.5
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0016 0.0057 0.5
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0016 0.0057 0.5
Onchocerca volvulus Basement membrane proteoglycan homolog 0.001 0.0017 0.0022
Schistosoma mansoni cytochrome P450 0.0016 0.0057 0.0189
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0016 0.0063 0.0207
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0016 0.0057 0.5
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.001 0.0011 0.0035
Trypanosoma cruzi cytochrome P450, putative 0.0016 0.0057 0.5
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.001 0.0017 0.0057
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0016 0.0057 0.5
Echinococcus multilocularis dual specificity serine:threonine tyrosine 0.0397 0.3034 1
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0016 0.0057 0.5
Schistosoma mansoni neuroglian 0.001 0.0017 0.0057
Brugia malayi protein unc-22 0.001 0.0011 0.0035
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0016 0.0057 0.5
Loa Loa (eye worm) TTK protein kinase 0.0397 0.3034 1
Echinococcus multilocularis hemicentin 1 0.001 0.0017 0.0057
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0016 0.0057 0.5
Echinococcus multilocularis neuroglian 0.001 0.0017 0.0057
Trichomonas vaginalis CAMK family protein kinase 0.0397 0.3034 0.5
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0016 0.0057 0.5
Echinococcus multilocularis twitchin 0.001 0.0011 0.0035
Echinococcus multilocularis titin 0.001 0.0011 0.0035
Trypanosoma cruzi cytochrome P450, putative 0.0016 0.0057 0.5
Echinococcus granulosus defective proboscis extension response 0.001 0.0017 0.0055
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.001 0.0017 0.0057
Echinococcus granulosus neuroglian 0.001 0.0017 0.0057
Echinococcus multilocularis tyrosine protein kinase otk 0.001 0.0017 0.0057
Echinococcus multilocularis roundabout 2 0.001 0.0017 0.0057
Leishmania major cytochrome p450-like protein 0.0016 0.0057 0.5
Echinococcus granulosus Immunoglobulin 0.001 0.0017 0.0055
Brugia malayi Peroxidasin 0.001 0.0017 0.0057
Schistosoma mansoni cell adhesion molecule 0.001 0.0017 0.0057

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 75 % Inhibition of full length human recombinant serine recemase C2DC6D mutant expressed in Escherichia coli BL21 (DE3) assessed as D-serine production at 1 mM after 10 mins by Saccharomyces cerevisiae Dsd1SC based D-serine detection assay ChEMBL. 25066953

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.

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