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

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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