Detailed information for compound 833876

Basic information

Technical information
  • TDR Targets ID: 833876
  • Name: dimethyl 2-[3-(1,3,4,6-tetramethylpyrazolo[4, 5-e]pyridin-5-yl)propanoylamino]benzene-1,4-d icarboxylate
  • MW: 438.476 | Formula: C23H26N4O5
  • H donors: 1 H acceptors: 5 LogP: 3.32 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(cc1NC(=O)CCc1c(C)nc2c(c1C)c(C)nn2C)C(=O)OC
  • InChi: 1S/C23H26N4O5/c1-12-16(13(2)24-21-20(12)14(3)26-27(21)4)9-10-19(28)25-18-11-15(22(29)31-5)7-8-17(18)23(30)32-6/h7-8,11H,9-10H2,1-6H3,(H,25,28)
  • InChiKey: FJXSOFDZYNVNSJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[1-oxo-3-(1,3,4,6-tetramethyl-5-pyrazolo[4,5-e]pyridinyl)propyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester
  • 2-[3-(1,3,4,6-tetramethylpyrazolo[4,5-e]pyridin-5-yl)propanoylamino]benzene-1,4-dicarboxylic acid dimethyl ester

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
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0123 0.042 1
Plasmodium vivax vivapain-2 0.0354 0.1744 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0354 0.1744 0.4264
Brugia malayi cathepsin L-like precursor 0.0354 0.1744 0.1744
Brugia malayi Cathepsin L-like precursor 0.0354 0.1744 0.1744
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0649 0.3431 0.3093
Echinococcus granulosus prolyl endopeptidase 0.0137 0.0502 0.0013
Schistosoma mansoni cathepsin F (C01 family) 0.0354 0.1744 0.1319
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0354 0.1744 0.1744
Loa Loa (eye worm) hypothetical protein 0.0135 0.049 0.049
Trypanosoma cruzi cysteine peptidase, putative 0.0135 0.049 0.0461
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0354 0.1744 0.4264
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0354 0.1744 0.5039
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0137 0.0502 0.0013
Trypanosoma brucei prolyl endopeptidase 0.0137 0.0502 0.1387
Onchocerca volvulus Cathepsin L homolog 0.0354 0.1744 1
Leishmania major cathepsin L-like protease 0.0354 0.1744 0.5039
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0354 0.1744 0.5039
Plasmodium vivax vivapain-2 0.0354 0.1744 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0354 0.1744 0.1319
Brugia malayi Cathepsin L-like precursor 0.0354 0.1744 0.1744
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0354 0.1744 0.5039
Toxoplasma gondii cathepsin CPL 0.0354 0.1744 0.4264
Brugia malayi cathepsin F-like cysteine proteinase 0.0135 0.049 0.049
Trypanosoma cruzi major cysteine proteinase, putative 0.0135 0.049 0.0461
Loa Loa (eye worm) ctsf protein 0.0354 0.1744 0.1744
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0354 0.1744 0.5039
Loa Loa (eye worm) hypothetical protein 0.0135 0.049 0.049
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.1797 1 1
Trypanosoma cruzi cruzipain precursor, putative 0.0354 0.1744 0.1719
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0354 0.1744 0.4264
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0135 0.049 0.049
Echinococcus multilocularis cysteine protease 0.0354 0.1744 0.1319
Trypanosoma cruzi cysteine proteinase, putative 0.0135 0.049 0.0461
Echinococcus multilocularis cathepsin L cysteine protease 0.0354 0.1744 0.1319
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0354 0.1744 0.4264
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0354 0.1744 1
Leishmania major cathepsin L-like protease 0.0354 0.1744 0.5039
Leishmania major cathepsin L-like protease 0.0354 0.1744 0.5039
Plasmodium falciparum cysteine proteinase falcipain 3 0.0354 0.1744 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0354 0.1744 0.4264
Brugia malayi cathepsin L-like cysteine proteinase 0.0135 0.049 0.049
Schistosoma mansoni cathepsin F (C01 family) 0.0354 0.1744 0.1319
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0354 0.1744 0.4264
Leishmania major cathepsin L-like protease 0.0354 0.1744 0.5039
Brugia malayi cathepsin L precursor 0.0135 0.049 0.049
Echinococcus granulosus cathepsin L cysteine proteinase 0.0354 0.1744 0.1319
Trypanosoma cruzi cysteine peptidase, putative 0.0354 0.1744 0.1719
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0354 0.1744 0.4264
Onchocerca volvulus 0.0354 0.1744 1
Trypanosoma cruzi cysteine protease, putative 0.0135 0.049 0.0461
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0135 0.049 0.049
Loa Loa (eye worm) hypothetical protein 0.0354 0.1744 0.1744
Leishmania major cathepsin L-like protease 0.0354 0.1744 0.5039
Toxoplasma gondii cathepsin B 0.0649 0.3431 1
Brugia malayi Cathepsin L-like precursor 0.0354 0.1744 0.1744
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0354 0.1744 0.5039
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0354 0.1744 0.4264
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0354 0.1744 0.4264
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0135 0.049 0.049
Trypanosoma cruzi cysteine peptidase, putative 0.0354 0.1744 0.1719
Loa Loa (eye worm) hypothetical protein 0.0137 0.0502 0.0502
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1797 1 1
Brugia malayi fibroinase precursor 0.0135 0.049 0.049
Brugia malayi Cathepsin L-like precursor 0.0354 0.1744 0.1744
Giardia lamblia Cathepsin B precursor 0.0649 0.3431 1
Trypanosoma cruzi cysteine peptidase, putative 0.0354 0.1744 0.1719
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0054 0.003 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0354 0.1744 0.4264
Leishmania major cathepsin L-like protease 0.0354 0.1744 0.5039
Echinococcus granulosus cathepsin b 0.1797 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0135 0.049 0.049
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0354 0.1744 0.4264
Brugia malayi cathepsin Z-like cysteine proteinase 0.0135 0.049 0.049
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0354 0.1744 0.4264
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0354 0.1744 0.5039
Loa Loa (eye worm) hypothetical protein 0.0354 0.1744 0.1744
Giardia lamblia Cathepsin B precursor 0.0649 0.3431 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0135 0.049 0.1352
Brugia malayi Cathepsin L-like cysteine proteinase 0.0354 0.1744 0.1744
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.1797 1 1
Echinococcus multilocularis cathepsin b 0.1797 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0354 0.1744 0.4264
Brugia malayi Cathepsin L-like precursor 0.0354 0.1744 0.1744
Brugia malayi Cathepsin L-like precursor 0.0354 0.1744 0.1744
Loa Loa (eye worm) fibroinase 0.0354 0.1744 0.1744
Loa Loa (eye worm) hypothetical protein 0.0135 0.049 0.049
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0354 0.1744 0.4264
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0354 0.1744 0.4264
Entamoeba histolytica cysteine proteinase, putative 0.0354 0.1744 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0354 0.1744 0.4264
Onchocerca volvulus 0.0354 0.1744 1
Entamoeba histolytica cysteine proteinase, putative 0.0354 0.1744 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0135 0.049 0.0461
Trypanosoma cruzi prolyl endopeptidase 0.0137 0.0502 0.0473
Onchocerca volvulus 0.0354 0.1744 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0354 0.1744 0.4264
Brugia malayi Papain family cysteine protease containing protein 0.0135 0.049 0.049
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0054 0.003 0.5
Entamoeba histolytica cysteine proteinase, putative 0.0354 0.1744 1
Echinococcus granulosus cathepsin l1 0.0354 0.1744 0.1319
Leishmania major cathepsin L-like protease 0.0354 0.1744 0.5039
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1797 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0354 0.1744 0.1719
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0135 0.049 0.1352
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0354 0.1744 0.1719
Echinococcus granulosus cathepsin l1 0.0354 0.1744 0.1319
Entamoeba histolytica cysteine protease, putative 0.0354 0.1744 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0354 0.1744 0.5039
Brugia malayi Papain family cysteine protease containing protein 0.0135 0.049 0.049
Onchocerca volvulus 0.0354 0.1744 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0354 0.1744 0.4264
Toxoplasma gondii prolyl endopeptidase 0.0137 0.0502 0.0041
Trypanosoma brucei cysteine peptidase C (CPC) 0.0649 0.3431 1
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0649 0.3431 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0354 0.1744 0.4264
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1797 1 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.049 0.049
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0354 0.1744 0.4264
Loa Loa (eye worm) hypothetical protein 0.0354 0.1744 0.1744
Echinococcus granulosus cathepsin b 0.1797 1 1
Leishmania major cysteine peptidase A (CPA) 0.0354 0.1744 0.5039
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0354 0.1744 0.1319
Brugia malayi Papain family cysteine protease containing protein 0.0354 0.1744 0.1744
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0354 0.1744 0.1319
Onchocerca volvulus 0.0354 0.1744 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0649 0.3431 0.3411
Brugia malayi Cathepsin L-like precursor 0.0354 0.1744 0.1744
Echinococcus multilocularis cysteine protease 0.0354 0.1744 0.1319
Echinococcus granulosus cathepsin l cysteine peptidase 0.0354 0.1744 0.1319
Brugia malayi Papain family cysteine protease containing protein 0.0135 0.049 0.049
Onchocerca volvulus Cathepsin L homolog 0.0354 0.1744 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0137 0.0502 0.0013
Onchocerca volvulus Prolyl endopeptidase homolog 0.0137 0.0502 0.0095
Trypanosoma cruzi cysteine proteinase, putative 0.0135 0.049 0.0461
Onchocerca volvulus 0.0354 0.1744 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.049 0.049
Loa Loa (eye worm) cysteine protease 0.0354 0.1744 0.1744
Echinococcus multilocularis cathepsin b 0.1797 1 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0135 0.049 0.049
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0354 0.1744 0.4264
Brugia malayi Cathepsin L-like precursor 0.0354 0.1744 0.1744
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0354 0.1744 0.4264
Loa Loa (eye worm) hypothetical protein 0.1797 1 1
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0137 0.0502 0.1387
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0354 0.1744 0.5039
Schistosoma mansoni cathepsin F (C01 family) 0.0354 0.1744 0.1319
Echinococcus multilocularis prolyl endopeptidase 0.0137 0.0502 0.0013
Onchocerca volvulus 0.0354 0.1744 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0135 0.049 0.0461
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0354 0.1744 0.4264
Onchocerca volvulus Cathepsin F homolog 0.0354 0.1744 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0354 0.1744 1
Brugia malayi prolyl oligopeptidase family protein 0.0137 0.0502 0.0502
Loa Loa (eye worm) cathepsin B 0.0649 0.3431 0.3431
Loa Loa (eye worm) hypothetical protein 0.0354 0.1744 0.1744
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0354 0.1744 0.4264
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0354 0.1744 0.5039
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0354 0.1744 0.4264
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0354 0.1744 0.1744
Onchocerca volvulus 0.0354 0.1744 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0354 0.1744 0.5039
Giardia lamblia Cathepsin B precursor 0.0649 0.3431 1
Leishmania major cathepsin L-like protease 0.0354 0.1744 0.5039
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0649 0.3431 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0354 0.1744 0.4264
Loa Loa (eye worm) hypothetical protein 0.0135 0.049 0.049
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0354 0.1744 0.5039
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0354 0.1744 0.4264
Brugia malayi cathepsin Z-like cysteine proteinase 0.0135 0.049 0.049
Brugia malayi Papain family cysteine protease containing protein 0.0135 0.049 0.049

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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