Detailed information for compound 368926

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 533.51 | Formula: C27H30Cl2N2O3S
  • H donors: 0 H acceptors: 2 LogP: 6.63 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: Clc1cccc(c1)N(S(=O)(=O)c1ccc(cc1)Cl)C(c1ccccc1OCCCN1CCCC1)C
  • InChi: 1S/C27H30Cl2N2O3S/c1-21(26-10-2-3-11-27(26)34-19-7-18-30-16-4-5-17-30)31(24-9-6-8-23(29)20-24)35(32,33)25-14-12-22(28)13-15-25/h2-3,6,8-15,20-21H,4-5,7,16-19H2,1H3
  • InChiKey: WUKMEFAUPMTRFB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APH1B gamma secretase subunit Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis gamma secretase subunit aph 1 Get druggable targets OG5_130831 All targets in OG5_130831
Brugia malayi gamma-secretase subunit aph-1 Get druggable targets OG5_130831 All targets in OG5_130831
Schistosoma mansoni gamma-secretase subunit aph-1 Get druggable targets OG5_130831 All targets in OG5_130831
Echinococcus granulosus gamma secretase subunit aph 1 Get druggable targets OG5_130831 All targets in OG5_130831
Schistosoma japonicum ko:K06172 anterior pharynx defective 1, putative Get druggable targets OG5_130831 All targets in OG5_130831
Loa Loa (eye worm) gamma-secretase subunit aph-1 Get druggable targets OG5_130831 All targets in OG5_130831
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
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0096 0.209 0.5
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) 0.0096 0.209 0.209
Mycobacterium ulcerans methionine aminopeptidase 0.0044 0 0.5
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.0062 0.0737 0.3527
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0096 0.209 0.6431
Echinococcus multilocularis gamma secretase subunit aph 1 0.0296 1 1
Leishmania major methionine aminopeptidase 2, putative 0.0096 0.209 1
Entamoeba histolytica methionine aminopeptidase, putative 0.0096 0.209 0.5
Echinococcus granulosus gamma secretase subunit aph 1 0.0296 1 1
Onchocerca volvulus Methionine aminopeptidase 2 homolog 0.0096 0.209 0.5
Echinococcus multilocularis methionyl aminopeptidase 2 0.0096 0.209 0.209
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0044 0 0.5
Trypanosoma cruzi Aph-1 protein, putative 0.0115 0.2841 1
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 0.0044 0 0.5
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0044 0 0.5
Brugia malayi initiation factor 2-associated protein. 0.0096 0.209 0.146
Trypanosoma brucei methionine aminopeptidase 2, putative 0.0096 0.209 0.6431
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0096 0.209 0.5
Loa Loa (eye worm) gamma-secretase subunit aph-1 0.0296 1 1
Chlamydia trachomatis methionine aminopeptidase 0.0044 0 0.5
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0096 0.209 0.6431
Loa Loa (eye worm) initiation factor 2-associated protein 0.0096 0.209 0.146
Plasmodium vivax methionine aminopeptidase 2, putative 0.0096 0.209 1
Plasmodium falciparum methionine aminopeptidase 2 0.0096 0.209 1
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) 0.0044 0 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0096 0.209 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0096 0.209 0.5
Toxoplasma gondii methionine aminopeptidase 0.0062 0.0737 0.3527
Echinococcus granulosus methionyl aminopeptidase 2 0.0096 0.209 0.146
Schistosoma mansoni gamma-secretase subunit aph-1 0.0296 1 1
Trypanosoma cruzi Aph-1 protein, putative 0.0115 0.2841 1
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0044 0 0.5
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0062 0.0737 0.0737
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0096 0.209 0.6431
Mycobacterium ulcerans methionine aminopeptidase MapB 0.0044 0 0.5
Treponema pallidum methionine aminopeptidase (map) 0.0044 0 0.5
Giardia lamblia Methionine aminopeptidase 0.0096 0.209 0.5
Plasmodium vivax methionine aminopeptidase 1b, putative 0.0062 0.0737 0.3527
Trypanosoma brucei Aph-1 protein, putative 0.0115 0.2841 1
Toxoplasma gondii methionine aminopeptidase 2, putative 0.0096 0.209 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.53 uM Inhibition of beta amyloid protein 40 production ChEMBL. 16766183
IC50 (binding) = 0.53 uM Inhibition of beta amyloid protein 40 production ChEMBL. 16766183
Ratio IC50 (binding) = 3.8 Inhibition of beta amyloid protein 40 production relative to 4-chloro-N-(2,5-difluorophenyl)-N-(1-(2-(3-(pyrrolidin-1-yl)propoxy)phenyl)ethyl)benzenesulfonamide ChEMBL. 16766183

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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