Detailed information for compound 1360379

Basic information

Technical information
  • TDR Targets ID: 1360379
  • Name: IDI1_012358
  • MW: 339.819 | Formula: C19H18ClN3O
  • H donors: 1 H acceptors: 1 LogP: 3.73 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)C(=O)N1CCN(CC1)c1cccc2c1cc[nH]2
  • InChi: 1S/C19H18ClN3O/c20-15-6-4-14(5-7-15)19(24)23-12-10-22(11-13-23)18-3-1-2-17-16(18)8-9-21-17/h1-9,21H,10-13H2
  • InChiKey: YFRXAUMSFWLIKW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • Oprea1_556512
  • (4-chlorophenyl)[4-(1H-indol-4-yl)piperazino]methanone
  • MLS000851184
  • SMR000457427
  • ZINC00135885
  • Maybridge3_000971

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni 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
Echinococcus granulosus lysosomal alpha glucosidase 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
Candida albicans hypothetical 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
Onchocerca volvulus 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
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
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
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
Echinococcus multilocularis lysosomal alpha glucosidase 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0485 0.1569 0.1569
Loa Loa (eye worm) hypothetical protein 0.0485 0.1569 0.1569
Schistosoma mansoni gliotactin 0.0485 0.1569 0.1569
Loa Loa (eye worm) hypothetical protein 0.006 0.0067 0.0067
Echinococcus granulosus BC026374 protein S09 family 0.0485 0.1569 0.1561
Schistosoma mansoni BC026374 protein (S09 family) 0.0485 0.1569 0.1569
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0485 0.1569 0.1561
Schistosoma mansoni neuroligin 3 (S09 family) 0.0485 0.1569 0.1569
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.055 0.0542
Echinococcus granulosus para nitrobenzyl esterase 0.0485 0.1569 0.1561
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.055 0.0542
Echinococcus granulosus acetylcholinesterase 0.2869 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0485 0.1569 0.1569
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0485 0.1569 0.1561
Trypanosoma brucei glucosidase, putative 0.0044 0.0009 0.5
Brugia malayi Carboxylesterase family protein 0.0485 0.1569 0.1569
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0009 0.5
Schistosoma mansoni alpha glucosidase 0.0044 0.0009 0.0009
Onchocerca volvulus 0.0485 0.1569 1
Echinococcus multilocularis carboxylesterase 5A 0.2869 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0485 0.1569 0.5
Echinococcus multilocularis acetylcholinesterase 0.2869 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0485 0.1569 0.1569
Mycobacterium ulcerans carboxylesterase, LipT 0.0485 0.1569 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.2869 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0067 0.0067
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0009 0.0009
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0009 0.5
Onchocerca volvulus 0.0485 0.1569 1
Echinococcus multilocularis neuroligin 0.0485 0.1569 0.1561
Loa Loa (eye worm) hypothetical protein 0.2869 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0485 0.1569 0.1569
Loa Loa (eye worm) hypothetical protein 0.0485 0.1569 0.1569
Schistosoma mansoni acetylcholinesterase 0.0485 0.1569 0.1569
Echinococcus granulosus acetylcholinesterase 0.2869 1 1
Loa Loa (eye worm) hypothetical protein 0.0485 0.1569 0.1569
Echinococcus multilocularis para nitrobenzyl esterase 0.0485 0.1569 0.1561
Echinococcus granulosus neuroligin 0.0485 0.1569 0.1561
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0067 0.0067
Schistosoma mansoni alpha-glucosidase 0.0169 0.0453 0.0453
Brugia malayi Carboxylesterase family protein 0.0485 0.1569 0.1569
Onchocerca volvulus 0.0485 0.1569 1
Trichomonas vaginalis spcc417.12 protein, putative 0.0485 0.1569 1
Brugia malayi Carboxylesterase family protein 0.0485 0.1569 0.1569
Onchocerca volvulus 0.0485 0.1569 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0009 0.0009
Echinococcus multilocularis acetylcholinesterase 0.2869 1 1
Loa Loa (eye worm) carboxylesterase 0.2869 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0009 0.5
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0009 0.5
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.055 0.055
Brugia malayi hypothetical protein 0.0485 0.1569 0.1569
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0067 0.0067
Echinococcus multilocularis BC026374 protein (S09 family) 0.0485 0.1569 0.1561
Echinococcus granulosus carboxylesterase 5A 0.2869 1 1
Loa Loa (eye worm) carboxylesterase 0.0485 0.1569 0.1569
Loa Loa (eye worm) hypothetical protein 0.2869 1 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.055 0.055
Mycobacterium tuberculosis Carboxylesterase LipT 0.0485 0.1569 0.5
Onchocerca volvulus 0.0485 0.1569 1
Brugia malayi Carboxylesterase family protein 0.0485 0.1569 0.1569
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.055 0.0542
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0009 0.5
Brugia malayi Carboxylesterase family protein 0.2869 1 1
Loa Loa (eye worm) hypothetical protein 0.0485 0.1569 0.1569
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0485 0.1569 1
Loa Loa (eye worm) acetylcholinesterase 1 0.2869 1 1
Schistosoma mansoni alpha-glucosidase 0.0169 0.0453 0.0453
Loa Loa (eye worm) hypothetical protein 0.0485 0.1569 0.1569
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0485 0.1569 0.5
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0009 0.5
Loa Loa (eye worm) hypothetical protein 0.0485 0.1569 0.1569
Loa Loa (eye worm) carboxylesterase 0.0485 0.1569 0.1569

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.7444 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.6234 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) 8.2753 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) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.7157 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1). (Class of assay: confirmatory) [Related pubchem assays: 594 (Rhodamine region spectral profiling screen), 593 (Fluorescein region spectral profiling screen), 2367 (Probe Development Summary for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1)), 2353 (qHTS Validation Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1))] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] 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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