Detailed information for compound 144976

Basic information

Technical information
  • TDR Targets ID: 144976
  • Name: cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoy l)-2-methoxyphenyl]methyl]benzimidazol-5-yl]c arbamate
  • MW: 548.61 | Formula: C28H28N4O6S
  • H donors: 2 H acceptors: 5 LogP: 4.26 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1cc(ccc1Cn1cnc2c1cc(cc2)NC(=O)OC1CCCC1)C(=O)NS(=O)(=O)c1ccccc1
  • InChi: 1S/C28H28N4O6S/c1-37-26-15-19(27(33)31-39(35,36)23-9-3-2-4-10-23)11-12-20(26)17-32-18-29-24-14-13-21(16-25(24)32)30-28(34)38-22-7-5-6-8-22/h2-4,9-16,18,22H,5-8,17H2,1H3,(H,30,34)(H,31,33)
  • InChiKey: FCZVJRPADUYFBI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxy-phenyl]methyl]benzimidazol-5-yl]carbamate
  • N-[3-[[4-[benzenesulfonamido(oxo)methyl]-2-methoxyphenyl]methyl]-5-benzimidazolyl]carbamic acid cyclopentyl ester
  • cyclopentyl N-[3-[[2-methoxy-4-(phenylsulfonylcarbamoyl)phenyl]methyl]benzimidazol-5-yl]carbamate
  • N-[3-[4-(besylcarbamoyl)-2-methoxy-benzyl]benzimidazol-5-yl]carbamic acid cyclopentyl ester
  • N-(4((6-(((cyclopentyloxy)carbonyl)amino)benzimidazol-1-yl)methyl)-3-methoxybenzoyl)benzenesulfonamide
  • N-[3-[[2-methoxy-4-[oxo-(phenylsulfonylamino)methyl]phenyl]methyl]-5-benzimidazolyl]carbamic acid cyclopentyl ester
  • N-[3-[2-methoxy-4-(phenylsulfonylcarbamoyl)benzyl]benzimidazol-5-yl]carbamic acid cyclopentyl ester
  • 107786-78-7
  • 4-Cpcab

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Echinococcus multilocularis chromobox protein 1 0.0075 0.1363 0.0665
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.0136 0.3329 0.5
Trypanosoma brucei Carboxypeptidase-like protein 0.0057 0.0772 0.5
Onchocerca volvulus 0.0331 0.9651 1
Toxoplasma gondii zinc carboxypeptidase superfamily protein 0.0057 0.0772 0.5
Plasmodium vivax hypothetical protein, conserved 0.0057 0.0772 0.5
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0057 0.0772 0.0692
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.0136 0.3329 0.5
Loa Loa (eye worm) hypothetical protein 0.0057 0.0772 0.0772
Loa Loa (eye worm) hypothetical protein 0.0057 0.0772 0.0772
Onchocerca volvulus Excitatory amino acid transporter homolog 0.0136 0.3329 0.345
Toxoplasma gondii zinc carboxypeptidase superfamily protein 0.0057 0.0772 0.5
Echinococcus multilocularis subfamily M14A unassigned peptidase 0.0331 0.9651 1
Echinococcus granulosus sodium:dicarboxylate symporter 0.0136 0.3329 0.288
Brugia malayi Zinc carboxypeptidase family protein 0.0057 0.0772 0.081
Echinococcus multilocularis Excitatory amino acid transporter 0.0136 0.3329 0.288
Loa Loa (eye worm) heterochromatin protein 1 0.0075 0.1363 0.1363
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0057 0.0772 0.0692
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0057 0.0772 0.0692
Onchocerca volvulus 0.0331 0.9651 1
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.006 0.0881 0.0549
Schistosoma mansoni subfamily M14A unassigned peptidase (M14 family) 0.0331 0.9651 1
Echinococcus granulosus subfamily M14A unassigned peptidase 0.0331 0.9651 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0772 0.0772
Loa Loa (eye worm) zinc carboxypeptidase 0.0057 0.0772 0.0772
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0057 0.0772 0.0692
Schistosoma mansoni hypothetical protein 0.0057 0.0772 0.0432
Giardia lamblia Nuclear ATP/GTP-binding protein 0.0057 0.0772 0.5
Echinococcus granulosus chromobox protein 1 0.0075 0.1363 0.0665
Loa Loa (eye worm) hypothetical protein 0.0274 0.7811 0.7811
Schistosoma mansoni carboxypeptidase N (M14 family) 0.0057 0.0772 0.0432
Echinococcus multilocularis excitatory amino acid transporter 2 0.0136 0.3329 0.288
Echinococcus multilocularis neutral amino acid transporter A 0.0136 0.3329 0.288
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0057 0.0772 0.0692
Echinococcus multilocularis Excitatory amino acid transporter 0.0136 0.3329 0.288
Treponema pallidum glutamate transporter 0.006 0.0881 0.5
Loa Loa (eye worm) excitatory amino acid transporter 0.0136 0.3329 0.3329
Trypanosoma cruzi zinc carboxypeptidase, putative 0.0057 0.0772 0.5
Toxoplasma gondii zinc carboxypeptidase, putative 0.0057 0.0772 0.5
Echinococcus granulosus excitatory amino acid transporter 2 0.0136 0.3329 0.288
Onchocerca volvulus 0.0331 0.9651 1
Leishmania major zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14 0.0057 0.0772 0.5
Treponema pallidum glutamate/aspartate transporter 0.006 0.0881 0.5
Chlamydia trachomatis glutamate symporter 0.0136 0.3329 1
Brugia malayi Carboxypeptidase A2 precursor 0.0057 0.0772 0.081
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0057 0.0772 0.0692
Echinococcus multilocularis sodium:dicarboxylate symporter 0.006 0.0881 0.0123
Loa Loa (eye worm) hypothetical protein 0.0057 0.0772 0.0772
Schistosoma mansoni peptidase 0.0057 0.0772 0.0432
Trichomonas vaginalis chromobox protein, putative 0.0075 0.1363 0.1548
Onchocerca volvulus 0.0044 0.0371 0.0385
Trypanosoma cruzi metallo-peptidase, Clan MC, Family M14, putative 0.0057 0.0772 0.5
Loa Loa (eye worm) hypothetical protein 0.0057 0.0772 0.0772
Echinococcus granulosus Excitatory amino acid transporter 0.0136 0.3329 0.288
Brugia malayi hypothetical protein 0.0131 0.3179 0.489
Trichomonas vaginalis chromobox protein, putative 0.0075 0.1363 0.1548
Brugia malayi Zinc carboxypeptidase family protein 0.0057 0.0772 0.081
Onchocerca volvulus 0.0255 0.7196 0.7457
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0136 0.3329 0.288
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0136 0.3329 0.288
Brugia malayi Zinc carboxypeptidase family protein 0.0057 0.0772 0.081
Brugia malayi Zinc carboxypeptidase family protein 0.0057 0.0772 0.081
Trypanosoma brucei metallo-peptidase, Clan MC, Family M14, putative 0.0057 0.0772 0.5
Schistosoma mansoni metallocarboxypeptidase D peptidase unit 2 (M14 family) 0.0057 0.0772 0.0432
Onchocerca volvulus Cytosolic carboxypeptidase 1 homolog 0.0057 0.0772 0.08
Schistosoma mansoni chromobox protein 0.0075 0.1363 0.1068
Onchocerca volvulus 0.0057 0.0772 0.08
Echinococcus granulosus Excitatory amino acid transporter 0.0136 0.3329 0.288
Trichomonas vaginalis set domain proteins, putative 0.0255 0.7196 1
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0057 0.0772 0.0692
Brugia malayi Heterochromatin protein 1 0.0075 0.1363 0.1811
Echinococcus granulosus neutral amino acid transporter A 0.0136 0.3329 0.288
Schistosoma mansoni family M14 non-peptidase homologue (M14 family) 0.0057 0.0772 0.0432
Onchocerca volvulus 0.0057 0.0772 0.08
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0045 0.0398 0.0412
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0057 0.0772 0.0692
Echinococcus multilocularis neutral amino acid transporter A 0.0136 0.3329 0.288
Onchocerca volvulus 0.0331 0.9651 1
Echinococcus multilocularis excitatory amino acid transporter 2 0.0136 0.3329 0.288
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.006 0.0881 0.0549
Loa Loa (eye worm) zinc carboxypeptidase 0.0057 0.0772 0.0772
Toxoplasma gondii flagellar/basal body protein 0.0057 0.0772 0.5
Echinococcus granulosus chromobox protein 1 0.0075 0.1363 0.0665
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.0136 0.3329 0.3188
Echinococcus granulosus neutral amino acid transporter 0.0136 0.3329 0.288
Trypanosoma brucei metallo-peptidase, Clan MC, Family M14, putative 0.0057 0.0772 0.5
Echinococcus granulosus excitatory amino acid transporter 2 0.0136 0.3329 0.288
Giardia lamblia Nuclear ATP/GTP-binding protein 0.0057 0.0772 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.0294 0.0294
Brugia malayi Zinc carboxypeptidase family protein 0.0057 0.0772 0.081
Onchocerca volvulus Subfamily M14A unassigned peptidase homolog 0.0331 0.9651 1
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0398 0.015
Loa Loa (eye worm) hypothetical protein 0.0057 0.0772 0.0772
Brugia malayi Pre-SET motif family protein 0.0224 0.6193 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0772 0.0772
Loa Loa (eye worm) zinc carboxypeptidase 0.0057 0.0772 0.0772
Loa Loa (eye worm) hypothetical protein 0.0057 0.0772 0.0772
Schistosoma mansoni chromobox protein 0.0075 0.1363 0.1068
Leishmania major zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14 0.0057 0.0772 0.5
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0057 0.0772 0.0692
Giardia lamblia Nuclear ATP/GTP-binding protein 0.0057 0.0772 0.5
Echinococcus multilocularis neutral amino acid transporter A 0.0136 0.3329 0.288
Onchocerca volvulus Carboxypeptidase D homolog 0.0057 0.0772 0.08
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0398 0.015
Echinococcus granulosus excitatory amino acid transporter 3 0.0136 0.3329 0.288
Trypanosoma cruzi Carboxypeptidase-like protein 0.0057 0.0772 0.5
Echinococcus granulosus neutral amino acid transporter A 0.0136 0.3329 0.288
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0294 0.0305
Trypanosoma cruzi metallo-peptidase, Clan MC, Family M14, putative 0.0057 0.0772 0.5
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0057 0.0772 0.0692
Brugia malayi Zinc carboxypeptidase family protein 0.0057 0.0772 0.081
Brugia malayi Zinc carboxypeptidase family protein 0.0057 0.0772 0.081
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0224 0.6193 0.6193
Schistosoma mansoni protease m14 carboxypeptidase 0.0057 0.0772 0.0432
Leishmania major zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14 0.0057 0.0772 0.5
Loa Loa (eye worm) hypothetical protein 0.0057 0.0772 0.0772
Brugia malayi Excitatory amino acid transporter 0.0136 0.3329 0.5145
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0057 0.0772 0.0692
Schistosoma mansoni peptidase 0.0057 0.0772 0.0432
Schistosoma mansoni peptidase 0.0057 0.0772 0.0432
Echinococcus multilocularis excitatory amino acid transporter 3 0.0136 0.3329 0.288
Brugia malayi Zinc carboxypeptidase family protein 0.0057 0.0772 0.081
Loa Loa (eye worm) zinc carboxypeptidase 0.0057 0.0772 0.0772
Echinococcus multilocularis chromobox protein 1 0.0075 0.1363 0.0665
Trypanosoma cruzi metallo-peptidase, Clan MC, Family M14 0.0057 0.0772 0.5
Loa Loa (eye worm) hypothetical protein 0.0057 0.0772 0.0772
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.006 0.0881 0.0123

Activities

Activity type Activity value Assay description Source Reference
pKB (functional) = 9.2 Negative logarithm of molar dissociation constant on guinea pig trachea at Cysteinyl leukotriene D4 receptor, when LTE4 is used as agonist ChEMBL. 2167983

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

1 literature reference was collected for this gene.

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