Detailed information for compound 1336405

Basic information

Technical information
  • TDR Targets ID: 1336405
  • Name: N-(cyclopentylideneamino)-2,4-dihydroxybenzam ide
  • MW: 234.251 | Formula: C12H14N2O3
  • H donors: 3 H acceptors: 3 LogP: 1.68 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(c(c1)O)C(=O)NN=C1CCCC1
  • InChi: 1S/C12H14N2O3/c15-9-5-6-10(11(16)7-9)12(17)14-13-8-3-1-2-4-8/h5-7,15-16H,1-4H2,(H,14,17)
  • InChiKey: ZTQWVYRPOZNDKA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(cyclopentylideneamino)-2,4-dihydroxy-benzamide
  • IVK/6184200

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
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
Plasmodium falciparum protease, putative 0.002 0 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 1 1
Trichomonas vaginalis Clan MA, family M48, Ste24 endopeptidase-like metallopeptidase 0.0071 0.2889 0.6566
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1891 0.4123
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1891 0.4123
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0096 0.4291 0.4661
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.1351 0.28
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0053 0.1891 0.1837
Toxoplasma gondii CAAX metallo endopeptidase 0.0071 0.2889 1
Echinococcus multilocularis caax prenyl protease 1 0.0071 0.2889 0.2387
Chlamydia trachomatis hypothetical protein 0.002 0 0.5
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.1891 0.1837
Leishmania major CAAX prenyl protease 1, putative,metallo-peptidase, Clan M-, Family M48 0.0071 0.2889 0.5231
Schistosoma mansoni farnesylated-protein converting enzyme 1 (M48 family) 0.0071 0.2889 0.2861
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.1351 0.28
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0096 0.4291 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0053 0.1891 0.1837
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.1351 0.0741
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0053 0.1891 0.1837
Echinococcus granulosus caax prenyl protease 1 0.0071 0.2889 0.2387
Echinococcus granulosus geminin 0.0169 0.8417 0.8305
Echinococcus multilocularis mitogen activated protein kinase 0.0053 0.1891 0.1319
Entamoeba histolytica CAAX prenyl protease, putative 0.0071 0.2889 0.6732
Mycobacterium ulcerans hypothetical protein 0.002 0 0.5
Schistosoma mansoni hypothetical protein 0.0169 0.8417 0.9955
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.1891 0.1581
Loa Loa (eye worm) hypothetical protein 0.0068 0.2719 0.2205
Schistosoma mansoni alpha glucosidase 0.0044 0.1351 0.0888
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.1351 0.0741
Plasmodium vivax protease, putative 0.002 0 0.5
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.002 0 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.1351 0.28
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.2719 0.2205
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0096 0.4291 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.1351 0.28
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.1351 0.4676
Echinococcus multilocularis mitogen activated protein kinase 3 0.0053 0.1891 0.1319
Brugia malayi Peptidase family M48 containing protein 0.0071 0.2889 0.2387
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0053 0.1891 0.1837
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.1351 0.3148
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.1351 0.28
Echinococcus multilocularis geminin 0.0169 0.8417 0.8305
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.1351 0.28
Trypanosoma cruzi metallo- peptidase, Clan M- Family M48 0.0071 0.2889 0.5231
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0096 0.4291 0.4661
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.002 0 0.5
Brugia malayi CAAX amino terminal protease family protein 0.0096 0.4291 0.3888
Loa Loa (eye worm) hypothetical protein 0.0099 0.4493 0.4105
Echinococcus granulosus mitogen activated protein kinase 0.0053 0.1891 0.1319
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.1351 0.28
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0 0.5
Brugia malayi MAP kinase sur-1 0.0053 0.1891 0.1319
Trypanosoma brucei protein kinase, putative 0.0053 0.1891 0.1837
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0053 0.1891 0.1319
Trypanosoma cruzi CAAX prenyl protease 1, putative 0.0071 0.2889 0.5231
Schistosoma mansoni alpha-glucosidase 0.0169 0.8452 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.4291 0.3888
Trichomonas vaginalis Clan MA, family M48, Ste24 endopeptidase-like metallopeptidase 0.0071 0.2889 0.6566
Schistosoma mansoni hypothetical protein 0.0068 0.2719 0.2643
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.4493 0.4105
Trypanosoma brucei metallo- peptidase, Clan M- Family M48 0.0071 0.2889 0.5231
Echinococcus granulosus CAAX prenyl protease 2 0.0096 0.4291 0.3888
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0096 0.4291 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.1351 0.28
Echinococcus multilocularis CAAX prenyl protease 2 0.0096 0.4291 0.3888
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.1351 0.28
Loa Loa (eye worm) peptidase family M48 containing protein 0.0071 0.2889 0.2387
Treponema pallidum hypothetical protein 0.002 0 0.5
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0053 0.1891 0.6546
Mycobacterium ulcerans integral membrane protein 0.002 0 0.5
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.1351 0.0741
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.4493 0.4105
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.4493 0.4105
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 1 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0053 0.1891 0.1319
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1891 0.4123
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.1891 0.1837
Mycobacterium ulcerans hypothetical protein 0.002 0 0.5
Schistosoma mansoni alpha-glucosidase 0.0169 0.8452 1
Mycobacterium tuberculosis Probable integral membrane protein 0.002 0 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1891 0.4123
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.1351 0.0741
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0053 0.1891 0.1837
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0096 0.4291 1
Entamoeba histolytica CAAX prenyl protease family 0.0096 0.4291 1
Trypanosoma brucei CAAX amino terminal protease, putative 0.0096 0.4291 1
Onchocerca volvulus 0.0114 0.5313 0.5
Giardia lamblia Hypothetical protein 0.0096 0.4291 1
Schistosoma mansoni hypothetical protein 0.0169 0.8417 0.9955
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.1351 0.3148

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 13.1154 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) 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) 39.8107 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 42.5615 uM PubChem BioAssay. qHTS Assay for the Inhibitors of FEN1: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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.

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