Detailed information for compound 1305939

Basic information

Technical information
  • TDR Targets ID: 1305939
  • Name: 2-[(2-chlorophenyl)methyl]-5,6-dihydrobenzo[h ]cinnolin-3-one
  • MW: 322.788 | Formula: C19H15ClN2O
  • H donors: 0 H acceptors: 1 LogP: 3.87 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccccc1Cn1nc2c(cc1=O)CCc1c2cccc1
  • InChi: 1S/C19H15ClN2O/c20-17-8-4-2-6-15(17)12-22-18(23)11-14-10-9-13-5-1-3-7-16(13)19(14)21-22/h1-8,11H,9-10,12H2
  • InChiKey: VAMNWBLTRFSJJP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2-chlorobenzyl)-5,6-dihydrobenzo[h]cinnolin-3-one
  • 2-(2-chlorobenzyl)-5,6-dihydrobenzo[h]cinnolin-3(2H)-one
  • MLS000540981
  • SMR000126039
  • Oprea1_507738
  • 3R-1254

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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 0.0077 0.5677 0.5637
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0658 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0036 0.1777 0.1701
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0658 1
Echinococcus granulosus mitogen activated protein kinase 0.0049 0.3083 1
Brugia malayi Latrophilin receptor protein 2 0.0036 0.1777 0.1198
Schistosoma mansoni hypothetical protein 0.0077 0.5677 1
Leishmania major hypothetical protein, conserved 0.0024 0.0725 0.0276
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0725 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0091 0.139
Mycobacterium ulcerans hypothetical protein 0.0024 0.0658 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0658 0.5
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0658 1
Brugia malayi latrophilin 2 splice variant baaae 0.0077 0.5677 0.5372
Loa Loa (eye worm) hypothetical protein 0.0024 0.0658 0.0572
Giardia lamblia Kinase, CMGC MAPK 0.0049 0.3083 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0658 1
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.3083 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0112 0.9038 0.9029
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.3083 0.5
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0725 0.0639
Onchocerca volvulus Huntingtin homolog 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0112 0.9038 0.9029
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0658 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0725 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0049 0.3083 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Brugia malayi MAP kinase sur-1 0.0049 0.3083 0.2596
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0049 0.3083 1
Onchocerca volvulus Huntingtin homolog 0.0122 1 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0091 0.5
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0658 0.5
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0049 0.3083 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0658 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0112 0.9038 0.897
Loa Loa (eye worm) hypothetical protein 0.0024 0.0658 0.0572
Loa Loa (eye worm) hypothetical protein 0.0036 0.1777 0.1701
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0658 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.3083 0.5
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0049 0.3083 0.3019
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0049 0.3083 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0049 0.3083 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0049 0.3083 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0112 0.9038 0.897
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0658 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0658 0.0572
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0725 1
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.3083 0.5
Brugia malayi hypothetical protein 0.0024 0.0725 0.0072
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0049 0.3083 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0658 0.5
Echinococcus multilocularis mitogen activated protein kinase 0.0049 0.3083 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0049 0.3083 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0658 1
Schistosoma mansoni serine/threonine protein kinase 0.0049 0.3083 0.3349
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0049 0.3083 1
Trypanosoma brucei protein kinase, putative 0.0049 0.3083 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0036 0.1777 0.1198
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0658 0.5
Echinococcus granulosus mitogen activated protein kinase 3 0.0049 0.3083 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0658 1

Activities

Activity type Activity value Assay description Source 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) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Agonists. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 16.5113 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 22.3872 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens ChEMBL23
Saccharomyces cerevisiae 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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