Detailed information for compound 1650012

Basic information

Technical information
  • TDR Targets ID: 1650012
  • Name: methyl 2-[2-(4-chlorophenyl)-4H-imidazo[2,1-c ][1,4]benzoxazin-4-yl]acetate
  • MW: 354.787 | Formula: C19H15ClN2O3
  • H donors: 0 H acceptors: 2 LogP: 3.4 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)CC1Oc2ccccc2n2c1nc(c2)c1ccc(cc1)Cl
  • InChi: 1S/C19H15ClN2O3/c1-24-18(23)10-17-19-21-14(12-6-8-13(20)9-7-12)11-22(19)15-4-2-3-5-16(15)25-17/h2-9,11,17H,10H2,1H3
  • InChiKey: FSOALHYQKWHNFI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[2-(4-chlorophenyl)-4H-imidazo[2,1-c][1,4]benzoxazin-4-yl]acetic acid methyl ester
  • methyl 2-[2-(4-chlorophenyl)-4H-imidazo[2,1-c][1,4]benzoxazin-4-yl]ethanoate
  • NCGC00164998-01

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
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0299 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0299 0.0112
Echinococcus multilocularis thyroid hormone receptor alpha 0.0141 0.1815 0.1643
Onchocerca volvulus Dual specificity protein kinase TTK homolog 0.0497 0.7012 1
Loa Loa (eye worm) TTK protein kinase 0.0497 0.7012 1
Trichomonas vaginalis CAMK family protein kinase 0.0497 0.7012 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0299 0.0238
Mycobacterium ulcerans beta-lactamase 0.0037 0.0299 0.5
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0299 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0.0206 0.0102
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0299 0.0238
Schistosoma mansoni hypothetical protein 0.0131 0.1662 0.2139
Schistosoma mansoni thyroid hormone receptor 0.0141 0.1815 0.2365
Schistosoma mansoni cellular tumor antigen P53 0.0103 0.1253 0.1539
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0299 1
Leishmania major hypothetical protein, conserved 0.0037 0.0299 1
Onchocerca volvulus 0.0246 0.3345 0.4612
Echinococcus granulosus dual specificity serine:threonine tyrosine 0.0497 0.7012 0.6955
Onchocerca volvulus 0.0103 0.1253 0.1539
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0135 0.5
Brugia malayi beta-lactamase family protein 0.0037 0.0299 0.0427
Mycobacterium ulcerans hypothetical protein 0.0037 0.0299 0.5
Trichomonas vaginalis set domain proteins, putative 0.0246 0.3345 0.4537
Plasmodium vivax SET domain protein, putative 0.0031 0.0206 0.4302
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0299 0.0095
Loa Loa (eye worm) hypothetical protein 0.0037 0.0299 0.0238
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase 0.0497 0.7012 1
Schistosoma mansoni thyroid hormone receptor 0.0141 0.1815 0.2365
Brugia malayi Protein kinase domain containing protein 0.0497 0.7012 1
Mycobacterium leprae Probable lipase LipE 0.0037 0.0299 0.5
Onchocerca volvulus 0.0037 0.0299 0.0137
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0299 0.0137
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0299 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0299 0.0137
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0299 1
Onchocerca volvulus 0.0037 0.0299 0.0137
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0239 0.3241 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0131 0.1662 0.1487
Mycobacterium ulcerans lipase LipD 0.0037 0.0299 0.5
Loa Loa (eye worm) beta-lactamase 0.0037 0.0299 0.0238
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0299 1
Toxoplasma gondii ABC1 family protein 0.0037 0.0299 1
Brugia malayi hypothetical protein 0.0026 0.0135 0.0193
Loa Loa (eye worm) hypothetical protein 0.0037 0.0299 0.0238
Brugia malayi Pre-SET motif family protein 0.0031 0.0206 0.0294
Loa Loa (eye worm) hypothetical protein 0.0037 0.0299 0.0238
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0216 0.2909 0.4033
Brugia malayi Pre-SET motif family protein 0.0216 0.2909 0.4148
Loa Loa (eye worm) hypothetical protein 0.0037 0.0299 0.0238
Onchocerca volvulus 0.0037 0.0299 0.0137
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0135 0.5
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0206 0.4302
Trichomonas vaginalis CAMK family protein kinase 0.0497 0.7012 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0299 0.0427
Echinococcus multilocularis dual specificity serine:threonine tyrosine 0.0497 0.7012 0.6949
Loa Loa (eye worm) hypothetical protein 0.0037 0.0299 0.0238
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0299 0.5
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0131 0.1662 0.1501
Loa Loa (eye worm) hypothetical protein 0.0103 0.1253 0.1625
Brugia malayi beta-lactamase family protein 0.0037 0.0299 0.0427
Brugia malayi beta-lactamase 0.0037 0.0299 0.0427
Giardia lamblia Kinase, TTK 0.0497 0.7012 0.5
Echinococcus multilocularis tumor protein p63 0.0702 1 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0206 0.0017

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): qHTS. (Class of assay: confirmatory) ChEMBL. No reference

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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