Detailed information for compound 1481729

Basic information

Technical information
  • TDR Targets ID: 1481729
  • Name: ethyl 4-chloro-1-methylpyrazolo[4,5-e]pyridin e-5-carboxylate
  • MW: 239.658 | Formula: C10H10ClN3O2
  • H donors: 0 H acceptors: 3 LogP: 1.68 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1cnc2c(c1Cl)cnn2C
  • InChi: 1S/C10H10ClN3O2/c1-3-16-10(15)7-4-12-9-6(8(7)11)5-13-14(9)2/h4-5H,3H2,1-2H3
  • InChiKey: ILWRYGALHSASQT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • ethyl 4-chloro-1-methyl-pyrazolo[4,5-e]pyridine-5-carboxylate
  • 4-chloro-1-methyl-5-pyrazolo[4,5-e]pyridinecarboxylic acid ethyl ester
  • 4-chloro-1-methyl-pyrazolo[4,5-e]pyridine-5-carboxylic acid ethyl ester
  • Bionet2_001378
  • MLS000764001
  • SMR000336141
  • ethyl 4-chloro-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
  • Oprea1_588277
  • 5T-0007

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
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
Onchocerca volvulus 0.0609 0.4239 0.4072
Schistosoma mansoni cercarial elastase (S01 family) 0.035 0.2016 0.1887
Loa Loa (eye worm) hypothetical protein 0.0134 0.016 0.016
Echinococcus granulosus Tolloid protein 1 0.014 0.0216 0.0057
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.1124 0.8662 0.864
Echinococcus granulosus tissue type plasminogen activator 0.128 1 1
Schistosoma mansoni hypothetical protein 0.035 0.2016 0.1887
Loa Loa (eye worm) hypothetical protein 0.035 0.2016 0.2016
Onchocerca volvulus 0.0609 0.4239 0.4072
Schistosoma mansoni cercarial elastase (S01 family) 0.035 0.2016 0.1887
Echinococcus granulosus glycoprotein Antigen 5 0.035 0.2016 0.1887
Onchocerca volvulus 0.035 0.2016 0.1784
Schistosoma mansoni cercarial elastase (S01 family) 0.035 0.2016 0.1887
Mycobacterium ulcerans hypothetical protein 0.035 0.2016 0.5
Brugia malayi SEA domain containing protein 0.0609 0.4239 0.4239
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.1145 0.884 0.8822
Brugia malayi Calcium binding EGF domain containing protein 0.0134 0.016 0.016
Brugia malayi Trypsin family protein 0.035 0.2016 0.2016
Schistosoma mansoni cercarial elastase (S01 family) 0.035 0.2016 0.1887
Plasmodium vivax cysteine repeat modular protein 1, putative 0.128 1 0.5
Onchocerca volvulus 0.035 0.2016 0.1784
Schistosoma mansoni cercarial elastase (S01 family) 0.035 0.2016 0.1887
Loa Loa (eye worm) hypothetical protein 0.0694 0.4972 0.4972
Schistosoma mansoni hypothetical protein 0.0609 0.4239 0.4146
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.035 0.2016 0.1887
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0148 0.0283 0.0283
Schistosoma mansoni cercarial elastase (S01 family) 0.035 0.2016 0.1887
Loa Loa (eye worm) TK/ROR protein kinase 0.128 1 1
Echinococcus multilocularis Tolloid protein 1 0.014 0.0216 0.0057
Loa Loa (eye worm) hypothetical protein 0.1124 0.8662 0.8662
Echinococcus granulosus enteropeptidase 0.035 0.2016 0.1887
Loa Loa (eye worm) bone morphogenetic protein 1b 0.014 0.0216 0.0216
Brugia malayi Fibulin-1 precursor 0.0134 0.016 0.016
Echinococcus multilocularis Mastin 0.035 0.2016 0.1887
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.035 0.2016 0.1887
Schistosoma mansoni hypothetical protein 0.128 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.035 0.2016 0.1887
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0357 0.2072 0.1944
Schistosoma mansoni hypothetical protein 0.035 0.2016 0.1887
Brugia malayi Trypsin-like protease protein 5 0.035 0.2016 0.2016
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.035 0.2016 0.2016
Loa Loa (eye worm) hypothetical protein 0.0134 0.016 0.016
Onchocerca volvulus 0.035 0.2016 0.1784
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.014 0.0216 0.0057
Onchocerca volvulus 0.035 0.2016 0.1784
Onchocerca volvulus 0.0774 0.5655 0.5528
Brugia malayi hypothetical protein 0.035 0.2016 0.2016
Onchocerca volvulus 0.0609 0.4239 0.4072
Leishmania major hypothetical protein, conserved 0.128 1 0.5
Echinococcus granulosus Mastin 0.035 0.2016 0.1887
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.035 0.2016 0.1887
Loa Loa (eye worm) trypsin family protein 0.035 0.2016 0.2016
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.035 0.2016 0.1887
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.035 0.2016 0.1887
Trypanosoma cruzi hypothetical protein, conserved 0.128 1 0.5
Loa Loa (eye worm) hypothetical protein 0.035 0.2016 0.2016
Loa Loa (eye worm) hypothetical protein 0.128 1 1
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.035 0.2016 0.1887
Brugia malayi Muscle positioning protein 4 0.0694 0.4972 0.4972
Toxoplasma gondii PAN domain-containing protein 0.0255 0.1198 0.1055
Onchocerca volvulus 0.128 1 1
Echinococcus multilocularis tissue type plasminogen activator 0.128 1 1
Echinococcus multilocularis transmembrane protease serine 3 0.035 0.2016 0.1887
Echinococcus multilocularis glycoprotein Antigen 5 0.035 0.2016 0.1887
Echinococcus granulosus transmembrane protease serine 3 0.035 0.2016 0.1887
Toxoplasma gondii kringle domain-containing protein 0.128 1 1
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.035 0.2016 0.1887
Loa Loa (eye worm) hypothetical protein 0.035 0.2016 0.2016
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0134 0.016 0.016
Loa Loa (eye worm) hypothetical protein 0.035 0.2016 0.2016
Loa Loa (eye worm) DOMON domain-containing protein 0.0609 0.4239 0.4239
Loa Loa (eye worm) hypothetical protein 0.035 0.2016 0.2016
Loa Loa (eye worm) hypothetical protein 0.0155 0.0339 0.0339
Brugia malayi Kringle domain containing protein 0.128 1 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.0283 0.0283
Onchocerca volvulus 0.1124 0.8662 0.8623
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.035 0.2016 0.1887
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0148 0.0283 0.0283
Brugia malayi Trypsin family protein 0.035 0.2016 0.2016
Schistosoma mansoni cercarial elastase (S01 family) 0.035 0.2016 0.1887
Schistosoma mansoni cercarial elastase (S01 family) 0.035 0.2016 0.1887
Schistosoma mansoni cercarial elastase (S01 family) 0.035 0.2016 0.1887
Brugia malayi Trypsin family protein 0.1124 0.8662 0.8662
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0783 0.5737 0.5668
Onchocerca volvulus 0.035 0.2016 0.1784
Onchocerca volvulus 0.0694 0.4972 0.4826
Brugia malayi Trypsin family protein 0.035 0.2016 0.2016
Onchocerca volvulus 0.0609 0.4239 0.4072
Loa Loa (eye worm) hypothetical protein 0.1124 0.8662 0.8662
Loa Loa (eye worm) hypothetical protein 0.014 0.0216 0.0216
Echinococcus multilocularis enteropeptidase 0.035 0.2016 0.1887
Plasmodium falciparum cysteine repeat modular protein 1 0.128 1 0.5
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.035 0.2016 0.1887
Loa Loa (eye worm) hypothetical protein 0.0609 0.4239 0.4239
Schistosoma mansoni cercarial elastase (S01 family) 0.035 0.2016 0.1887
Toxoplasma gondii PAN domain-containing protein 0.0255 0.1198 0.1055

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.0596 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 32.6427 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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.

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