Detailed information for compound 882718

Basic information

Technical information
  • TDR Targets ID: 882718
  • Name: methyl 4-[6,7-dimethyl-2-(5-methyl-1,2-oxazol -3-yl)-3,9-dioxo-1H-chromeno[3,2-c]pyrrol-1-y l]benzoate
  • MW: 444.436 | Formula: C25H20N2O6
  • H donors: 0 H acceptors: 4 LogP: 3.81 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(cc1)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)C)C
  • InChi: 1S/C25H20N2O6/c1-12-9-17-18(10-13(12)2)32-23-20(22(17)28)21(15-5-7-16(8-6-15)25(30)31-4)27(24(23)29)19-11-14(3)33-26-19/h5-11,21H,1-4H3
  • InChiKey: NBCPGNBTODCLNS-UHFFFAOYSA-N  

Network

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Synonyms

  • methyl 4-[6,7-dimethyl-2-(5-methylisoxazol-3-yl)-3,9-dioxo-1H-chromeno[3,2-c]pyrrol-1-yl]benzoate
  • 4-[6,7-dimethyl-2-(5-methyl-3-isoxazolyl)-3,9-dioxo-1H-chromeno[3,2-c]pyrrol-1-yl]benzoic acid methyl ester
  • 4-[3,9-diketo-6,7-dimethyl-2-(5-methylisoxazol-3-yl)-1H-chromeno[3,2-c]pyrrol-1-yl]benzoic acid methyl ester
  • STOCK5S-79638

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
Brugia malayi fibroinase precursor 0.004 0.0566 0.0534
Loa Loa (eye worm) hypothetical protein 0.004 0.0566 0.0566
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0158 0.3145 0.8838
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.004 0.0566 0.0243
Onchocerca volvulus Cathepsin F homolog 0.0158 0.3145 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0319 0.0319
Toxoplasma gondii cathepsin B 0.0174 0.3484 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0088 0.1612 0.1325
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0331 0.0298
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0034 0.0034
Brugia malayi cahepsin L-like non-peptiedase homolog 0.004 0.0566 0.0534
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.004 0.0566 0.0243
Brugia malayi Papain family cysteine protease containing protein 0.004 0.0566 0.0534
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.011 0.21 0.5255
Entamoeba histolytica cysteine protease, putative 0.0088 0.1612 0.4054
Brugia malayi cathepsin L precursor 0.004 0.0566 0.0534
Entamoeba histolytica cysteine protease, putative 0.0088 0.1612 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0158 0.3145 0.8838
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0174 0.3484 0.3093
Trypanosoma cruzi cruzipain precursor, putative 0.0158 0.3145 0.2733
Giardia lamblia Cathepsin B precursor 0.0174 0.3484 1
Schistosoma mansoni cathepsin F (C01 family) 0.0158 0.3145 0.291
Brugia malayi Papain family cysteine protease containing protein 0.0088 0.1612 0.1583
Trypanosoma cruzi cruzipain precursor, putative 0.0048 0.0737 0.018
Loa Loa (eye worm) hypothetical protein 0.0158 0.3145 0.3145
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.004 0.0566 0.0243
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.004 0.0566 0.0243
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0331 0.0331
Plasmodium vivax vivapain-2 0.0158 0.3145 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0158 0.3145 0.3145
Brugia malayi Cathepsin L-like precursor 0.0158 0.3145 0.3122
Brugia malayi Papain family cysteine protease containing protein 0.004 0.0566 0.0534
Brugia malayi cathepsin L-like cysteine proteinase 0.004 0.0566 0.0534
Loa Loa (eye worm) hypothetical protein 0.004 0.0566 0.0566
Brugia malayi Cathepsin L-like precursor 0.0158 0.3145 0.3122
Loa Loa (eye worm) hypothetical protein 0.0473 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0158 0.3145 0.8838
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0473 1 1
Echinococcus multilocularis musashi 0.0029 0.0331 0.0331
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0158 0.3145 0.8189
Echinococcus multilocularis cathepsin L 0.0088 0.1612 0.1612
Brugia malayi Cathepsin L-like precursor 0.0048 0.0737 0.0705
Onchocerca volvulus 0.0158 0.3145 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0158 0.3145 0.8838
Echinococcus granulosus cathepsin l1 0.011 0.21 0.21
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0088 0.1612 0.1325
Brugia malayi Papain family cysteine protease containing protein 0.004 0.0566 0.0534
Echinococcus granulosus lamin 0.0029 0.0331 0.0331
Onchocerca volvulus 0.004 0.0566 0.0837
Entamoeba histolytica cysteine proteinase, putative 0.0088 0.1612 0.4054
Echinococcus multilocularis cysteine protease 0.0158 0.3145 0.3145
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0088 0.1612 0.1108
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0158 0.3145 0.8838
Toxoplasma gondii cathepsin CPL 0.0158 0.3145 0.8838
Loa Loa (eye worm) papain family cysteine protease containing protein 0.004 0.0566 0.0566
Echinococcus granulosus cathepsin b 0.0473 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0158 0.3145 0.3145
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0158 0.3145 0.8189
Plasmodium vivax unspecified product 0.0088 0.1612 0.4054
Trypanosoma cruzi cysteine peptidase, putative 0.0158 0.3145 0.2733
Entamoeba histolytica cysteine proteinase, putative 0.0158 0.3145 1
Echinococcus multilocularis lamin dm0 0.0029 0.0331 0.0331
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0473 1 1
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.004 0.0566 0.0566
Loa Loa (eye worm) hypothetical protein 0.0048 0.0737 0.0737
Onchocerca volvulus 0.0158 0.3145 1
Entamoeba histolytica cysteine protease, putative 0.0088 0.1612 0.4054
Loa Loa (eye worm) fibroinase 0.0158 0.3145 0.3145
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.004 0.0566 0.0243
Plasmodium vivax unspecified product 0.0048 0.0737 0.066
Trypanosoma cruzi cysteine proteinase, putative 0.0088 0.1612 0.1108
Entamoeba histolytica cysteine protease, putative 0.0088 0.1612 0.4054
Onchocerca volvulus 0.0158 0.3145 1
Entamoeba histolytica cysteine proteinase, putative 0.0158 0.3145 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0331 0.0331
Onchocerca volvulus 0.0158 0.3145 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0088 0.1612 0.3583
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0158 0.3145 0.8189
Onchocerca volvulus 0.0158 0.3145 1
Loa Loa (eye worm) cathepsin B 0.0174 0.3484 0.3484
Echinococcus multilocularis cathepsin L cysteine protease 0.0158 0.3145 0.3145
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.004 0.0566 0.0243
Schistosoma mansoni cathepsin F (C01 family) 0.0158 0.3145 0.291
Entamoeba histolytica cysteine protease, putative 0.0088 0.1612 0.4054
Trypanosoma cruzi cysteine peptidase, putative 0.0158 0.3145 0.2733
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0473 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0158 0.3145 0.3122
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0158 0.3145 0.8838
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0158 0.3145 1
Echinococcus granulosus cathepsin l1 0.0158 0.3145 0.3145
Loa Loa (eye worm) ctsf protein 0.0158 0.3145 0.3145
Loa Loa (eye worm) hypothetical protein 0.004 0.0566 0.0566
Entamoeba histolytica cysteine protease, putative 0.0158 0.3145 1
Plasmodium falciparum cysteine proteinase falcipain 1 0.0088 0.1612 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0158 0.3145 0.8838
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0158 0.3145 0.8838
Schistosoma mansoni cathepsin B (C01 family) 0.004 0.0566 0.0243
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0174 0.3484 1
Giardia lamblia Cathepsin B precursor 0.0174 0.3484 1
Echinococcus granulosus cathepsin L cysteine protease 0.0088 0.1612 0.1612
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0158 0.3145 0.8838
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0158 0.3145 0.8189
Loa Loa (eye worm) hypothetical protein 0.004 0.0566 0.0566
Echinococcus granulosus cysteine protease 0.0088 0.1612 0.1612
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0473 1 1
Echinococcus multilocularis cathepsin b 0.0473 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0158 0.3145 0.2733
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0158 0.3145 0.8838
Schistosoma mansoni cathepsin C 0.004 0.0566 0.0243
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.004 0.0566 0.0243
Trypanosoma cruzi cysteine proteinase, putative 0.0088 0.1612 0.1108
Echinococcus multilocularis cysteine protease 0.0158 0.3145 0.3145
Brugia malayi cathepsin L-like precursor 0.011 0.21 0.2073
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0158 0.3145 0.8838
Giardia lamblia Cathepsin B precursor 0.0174 0.3484 1
Brugia malayi cathepsin F-like cysteine proteinase 0.0048 0.0737 0.0705
Echinococcus granulosus intermediate filament protein 0.0029 0.0331 0.0331
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0158 0.3145 0.8838
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0048 0.0737 0.0705
Onchocerca volvulus Cathepsin L homolog 0.0158 0.3145 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0158 0.3145 0.3145
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0158 0.3145 0.8838
Entamoeba histolytica cysteine protease, putative 0.0088 0.1612 0.4054
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0158 0.3145 0.3145
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0158 0.3145 0.8838
Echinococcus granulosus cathepsin L 0.004 0.0566 0.0566
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0048 0.0737 0.0737
Brugia malayi Cathepsin L-like cysteine proteinase 0.011 0.21 0.2073
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0158 0.3145 0.8838
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0158 0.3145 0.8189
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0158 0.3145 0.8838
Loa Loa (eye worm) hypothetical protein 0.011 0.21 0.21
Trypanosoma cruzi cysteine protease, putative 0.0088 0.1612 0.1108
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0158 0.3145 0.3145
Entamoeba histolytica cysteine proteinase, putative 0.0088 0.1612 0.4054
Entamoeba histolytica cysteine protease, putative 0.0088 0.1612 0.4054
Loa Loa (eye worm) hypothetical protein 0.0048 0.0737 0.0737
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0174 0.3484 0.3261
Brugia malayi Cathepsin L-like precursor 0.0158 0.3145 0.3122
Plasmodium vivax vivapain-2 0.0158 0.3145 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0158 0.3145 0.8189
Entamoeba histolytica cysteine protease, putative 0.0088 0.1612 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0158 0.3145 0.8838
Entamoeba histolytica cysteine proteinase 1, putative 0.0088 0.1612 0.4054
Loa Loa (eye worm) hypothetical protein 0.004 0.0566 0.0566
Schistosoma mansoni cathepsin S (C01 family) 0.004 0.0566 0.0243
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0158 0.3145 0.8838
Echinococcus multilocularis cathepsin L 0.004 0.0566 0.0566
Echinococcus granulosus cathepsin b 0.0473 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0158 0.3145 0.8189
Loa Loa (eye worm) hypothetical protein 0.0029 0.0331 0.0331
Trypanosoma cruzi cysteine peptidase, putative 0.0088 0.1612 0.1108
Brugia malayi Cathepsin L-like precursor 0.0158 0.3145 0.3122
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0174 0.3484 1
Echinococcus granulosus cathepsin L 0.0088 0.1612 0.1612
Entamoeba histolytica cysteine proteinase, putative 0.0088 0.1612 0.4054
Echinococcus multilocularis cathepsin b 0.0473 1 1
Onchocerca volvulus Cathepsin L homolog 0.0158 0.3145 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.011 0.21 0.1625
Brugia malayi cathepsin F-like cysteine proteinase 0.004 0.0566 0.0534
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0158 0.3145 0.8838
Echinococcus granulosus lamin dm0 0.0029 0.0331 0.0331
Onchocerca volvulus 0.0158 0.3145 1
Schistosoma mansoni cathepsin s 0.0048 0.0737 0.0419
Entamoeba histolytica cysteine protease, putative 0.0088 0.1612 0.4054
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0473 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0088 0.1612 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0158 0.3145 0.8838
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0158 0.3145 1
Echinococcus multilocularis lamin 0.0029 0.0331 0.0331
Entamoeba histolytica cysteine protease, putative 0.0088 0.1612 0.4054
Entamoeba histolytica cysteine proteinase 2 0.0088 0.1612 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0158 0.3145 0.8838
Plasmodium falciparum cysteine proteinase falcipain 3 0.0158 0.3145 1
Entamoeba histolytica cysteine protease, putative 0.0088 0.1612 0.4054
Echinococcus granulosus cathepsin l cysteine peptidase 0.0158 0.3145 0.3145
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0158 0.3145 0.8838
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0158 0.3145 0.8189
Onchocerca volvulus 0.011 0.21 0.6285
Entamoeba histolytica cysteine protease, putative 0.0088 0.1612 0.4054
Onchocerca volvulus 0.0158 0.3145 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.011 0.21 0.5255
Loa Loa (eye worm) cysteine protease 0.0158 0.3145 0.3145
Brugia malayi cathepsin Z-like cysteine proteinase 0.004 0.0566 0.0534
Brugia malayi Cathepsin L-like precursor 0.0158 0.3145 0.3122
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0158 0.3145 0.8189
Loa Loa (eye worm) papain family cysteine protease containing protein 0.004 0.0566 0.0566
Entamoeba histolytica cysteine proteinase, putative 0.011 0.21 0.5946
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0158 0.3145 0.8838
Loa Loa (eye worm) hypothetical protein 0.0048 0.0737 0.0737
Entamoeba histolytica cysteine protease, putative 0.0088 0.1612 0.4054
Plasmodium vivax vivapain-3 0.0088 0.1612 0.4054
Trypanosoma cruzi cysteine peptidase, putative 0.0048 0.0737 0.018
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0158 0.3145 0.8189
Loa Loa (eye worm) hypothetical protein 0.011 0.21 0.21
Plasmodium vivax vivapain-1 0.0088 0.1612 0.4054
Brugia malayi intermediate filament protein 0.0029 0.0331 0.0298
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0158 0.3145 0.8838
Brugia malayi Cathepsin L-like precursor 0.0158 0.3145 0.3122
Brugia malayi Cathepsin L-like precursor 0.011 0.21 0.2073
Loa Loa (eye worm) hypothetical protein 0.004 0.0566 0.0566
Onchocerca volvulus Cathepsin L homolog 0.004 0.0566 0.0837
Trypanosoma brucei cysteine peptidase C (CPC) 0.0174 0.3484 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0088 0.1612 0.3583
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0088 0.1612 0.1325
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0158 0.3145 0.8189
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0158 0.3145 0.3145
Brugia malayi cathepsin Z-like cysteine proteinase 0.004 0.0566 0.0534
Brugia malayi Papain family cysteine protease containing protein 0.0088 0.1612 0.1583
Brugia malayi Cathepsin L-like precursor 0.011 0.21 0.2073
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.004 0.0566 0.0243
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.004 0.0566 0.0243
Schistosoma mansoni cathepsin F (C01 family) 0.011 0.21 0.1829
Loa Loa (eye worm) hypothetical protein 0.011 0.21 0.21
Trypanosoma cruzi cysteine peptidase, putative 0.0158 0.3145 0.2733
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0158 0.3145 0.8838

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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