Detailed information for compound 1263484

Basic information

Technical information
  • TDR Targets ID: 1263484
  • Name: 2,4-dichloro-N-[1-[(3-methoxyphenyl)methyl]-5 ,6-dimethylbenzimidazol-4-yl]benzenesulfonami de
  • MW: 490.402 | Formula: C23H21Cl2N3O3S
  • H donors: 1 H acceptors: 3 LogP: 5.51 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)Cn1cnc2c1cc(C)c(c2NS(=O)(=O)c1ccc(cc1Cl)Cl)C
  • InChi: 1S/C23H21Cl2N3O3S/c1-14-9-20-23(26-13-28(20)12-16-5-4-6-18(10-16)31-3)22(15(14)2)27-32(29,30)21-8-7-17(24)11-19(21)25/h4-11,13,27H,12H2,1-3H3
  • InChiKey: XIFYOYNGKSQHIM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2,4-dichloro-N-[1-[(3-methoxyphenyl)methyl]-5,6-dimethyl-benzimidazol-4-yl]benzenesulfonamide
  • 2,4-dichloro-N-[1-[(3-methoxyphenyl)methyl]-5,6-dimethyl-4-benzimidazolyl]benzenesulfonamide
  • 2,4-dichloro-N-[1-(3-methoxybenzyl)-5,6-dimethyl-benzimidazol-4-yl]benzenesulfonamide
  • 2,4-dichloro-N-[1-(3-methoxybenzyl)-5,6-dimethyl-1H-1,3-benzimidazol-4-yl]benzenesulfonamide
  • MLS000549382
  • SMR000168965
  • 5J-394S
  • ZINC01391913

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
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
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0 0.5
Echinococcus granulosus GPCR family 2 0.0019 0.0587 0.0587
Loa Loa (eye worm) hypothetical protein 0.006 0.4117 0.4117
Schistosoma mansoni tar DNA-binding protein 0.0129 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.2847 0.2847
Brugia malayi RNA recognition motif domain containing protein 0.0129 1 1
Schistosoma mansoni hypothetical protein 0.0019 0.0587 0.0587
Loa Loa (eye worm) hypothetical protein 0.0089 0.6609 0.6609
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.2847 0.2847
Schistosoma mansoni eyes absent homolog 0.0089 0.6609 0.6609
Schistosoma mansoni hypothetical protein 0.0019 0.0587 0.0587
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.2847 0.2847
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.2847 0.2847
Loa Loa (eye worm) hypothetical protein 0.0019 0.0587 0.0587
Onchocerca volvulus Bile acid receptor homolog 0.0012 0 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.2483 0.2483
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.2847 0.2847
Echinococcus granulosus tar DNA binding protein 0.0129 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0587 0.0587
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0129 1 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0587 0.0587
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.2847 0.2847
Loa Loa (eye worm) hypothetical protein 0.0089 0.6609 0.6609
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.2847 0.2847
Schistosoma mansoni hypothetical protein 0.0041 0.2483 0.2483
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.2847 0.2847
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.4117 0.4117
Schistosoma mansoni tar DNA-binding protein 0.0129 1 1
Schistosoma mansoni tar DNA-binding protein 0.0129 1 1
Loa Loa (eye worm) RNA binding protein 0.0129 1 1
Schistosoma mansoni tar DNA-binding protein 0.0129 1 1
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0587 0.0587
Loa Loa (eye worm) hypothetical protein 0.0041 0.2483 0.2483
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.2847 0.2847
Loa Loa (eye worm) TAR-binding protein 0.0129 1 1
Schistosoma mansoni tar DNA-binding protein 0.0129 1 1
Brugia malayi hypothetical protein 0.0089 0.6609 0.6609
Echinococcus multilocularis GPCR, family 2 0.0019 0.0587 0.0587
Echinococcus multilocularis tar DNA binding protein 0.0129 1 1
Schistosoma mansoni hypothetical protein 0.0019 0.0587 0.0587
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0587 0.0587
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0587 0.0587
Onchocerca volvulus 0.0012 0 0.5
Brugia malayi TAR-binding protein 0.0129 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.0587 0.0587
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0587 0.0587
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.4117 0.4117
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.4117 0.4117
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0587 0.0587

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 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) 10.4179 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) 25.1189 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 29.0929 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 562.3413 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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