Detailed information for compound 428457

Basic information

Technical information
  • TDR Targets ID: 428457
  • Name: 6-[[2-(3-dimethylaminopropylamino)-4-fluoroph enyl]sulfonylamino]-3-furan-3-yl-2-methoxyben zoic acid
  • MW: 491.532 | Formula: C23H26FN3O6S
  • H donors: 3 H acceptors: 4 LogP: 1.94 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c(C(=O)O)c(ccc1c1cocc1)NS(=O)(=O)c1ccc(cc1NCCCN(C)C)F
  • InChi: 1S/C23H26FN3O6S/c1-27(2)11-4-10-25-19-13-16(24)5-8-20(19)34(30,31)26-18-7-6-17(15-9-12-33-14-15)22(32-3)21(18)23(28)29/h5-9,12-14,25-26H,4,10-11H2,1-3H3,(H,28,29)
  • InChiKey: QYOPBLQYJFPVIF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-[[2-(3-dimethylaminopropylamino)-4-fluoro-phenyl]sulfonylamino]-3-(3-furyl)-2-methoxy-benzoic acid
  • 6-[[2-(3-dimethylaminopropylamino)-4-fluorophenyl]sulfonylamino]-3-(3-furyl)-2-methoxybenzoic acid
  • 6-[[2-(3-dimethylaminopropylamino)-4-fluoro-phenyl]sulfonylamino]-3-furan-3-yl-2-methoxy-benzoic acid
  • 6-[[2-[3-(dimethylamino)propylamino]-4-fluorophenyl]sulfonylamino]-3-furan-3-yl-2-methoxybenzoic acid
  • 6-[[2-[3-(dimethylamino)propylamino]-4-fluoro-phenyl]sulfonylamino]-3-(3-furyl)-2-methoxy-benzoic acid
  • 6-[[2-[3-(dimethylamino)propylamino]-4-fluorophenyl]sulfonylamino]-3-(3-furyl)-2-methoxybenzoic acid
  • 6-[[2-[3-(dimethylamino)propylamino]-4-fluoro-phenyl]sulfonylamino]-3-furan-3-yl-2-methoxy-benzoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens methionyl aminopeptidase 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 Get druggable targets OG5_127231 All targets in OG5_127231
Plasmodium knowlesi methionine aminopeptidase 2, putative Get druggable targets OG5_127231 All targets in OG5_127231
Plasmodium falciparum methionine aminopeptidase 2 Get druggable targets OG5_127231 All targets in OG5_127231
Neospora caninum hypothetical protein Get druggable targets OG5_127231 All targets in OG5_127231
Schistosoma japonicum ko:K01265 methionyl aminopeptidase [EC3.4.11.18], putative Get druggable targets OG5_127231 All targets in OG5_127231
Leishmania mexicana methionine aminopeptidase 2, putative Get druggable targets OG5_127231 All targets in OG5_127231
Candida albicans methionine aminopeptidase Get druggable targets OG5_127231 All targets in OG5_127231
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 Get druggable targets OG5_127231 All targets in OG5_127231
Theileria parva methionine aminopeptidase, type II, putative Get druggable targets OG5_127231 All targets in OG5_127231
Echinococcus multilocularis methionyl aminopeptidase 2 Get druggable targets OG5_127231 All targets in OG5_127231
Trypanosoma brucei methionine aminopeptidase 2, putative Get druggable targets OG5_127231 All targets in OG5_127231
Cryptosporidium hominis methionine aminopeptidase, type II Get druggable targets OG5_127231 All targets in OG5_127231
Leishmania donovani metallo-peptidase, Clan MG, Family M24 Get druggable targets OG5_127231 All targets in OG5_127231
Brugia malayi initiation factor 2-associated protein. Get druggable targets OG5_127231 All targets in OG5_127231
Plasmodium berghei methionine aminopeptidase 2, putative Get druggable targets OG5_127231 All targets in OG5_127231
Leishmania braziliensis methionine aminopeptidase 2, putative Get druggable targets OG5_127231 All targets in OG5_127231
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) Get druggable targets OG5_127231 All targets in OG5_127231
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase Get druggable targets OG5_127231 All targets in OG5_127231
Plasmodium yoelii methionine aminopeptidase, type II, putative Get druggable targets OG5_127231 All targets in OG5_127231
Candida albicans methionine aminopeptidase Get druggable targets OG5_127231 All targets in OG5_127231
Trypanosoma congolense metallo-peptidase, Clan MG, Family M24 Get druggable targets OG5_127231 All targets in OG5_127231
Entamoeba histolytica methionine aminopeptidase, putative Get druggable targets OG5_127231 All targets in OG5_127231
Loa Loa (eye worm) initiation factor 2-associated protein Get druggable targets OG5_127231 All targets in OG5_127231
Echinococcus granulosus methionyl aminopeptidase 2 Get druggable targets OG5_127231 All targets in OG5_127231
Toxoplasma gondii methionine aminopeptidase 2, putative Get druggable targets OG5_127231 All targets in OG5_127231
Leishmania infantum methionine aminopeptidase 2, putative Get druggable targets OG5_127231 All targets in OG5_127231
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase Get druggable targets OG5_127231 All targets in OG5_127231
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 Get druggable targets OG5_127231 All targets in OG5_127231
Trypanosoma brucei gambiense methionine aminopeptidase 2, putative,metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_127231 All targets in OG5_127231
Plasmodium vivax methionine aminopeptidase 2, putative Get druggable targets OG5_127231 All targets in OG5_127231
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase Get druggable targets OG5_127231 All targets in OG5_127231
Cryptosporidium parvum methionine aminopeptidase, type II, putative , an1 domain Get druggable targets OG5_127231 All targets in OG5_127231
Babesia bovis methionine aminopeptidase, type II family protein Get druggable targets OG5_127231 All targets in OG5_127231
Giardia lamblia Methionine aminopeptidase Get druggable targets OG5_127231 All targets in OG5_127231
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase Get druggable targets OG5_127231 All targets in OG5_127231
Leishmania major methionine aminopeptidase 2, putative Get druggable targets OG5_127231 All targets in OG5_127231
Onchocerca volvulus Methionine aminopeptidase 2 homolog Get druggable targets OG5_127231 All targets in OG5_127231
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
Plasmodium falciparum methionine aminopeptidase 2 0.0053 0.5 0.5
Loa Loa (eye worm) initiation factor 2-associated protein 0.0053 0.5 0.5
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) 0.0053 0.5 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0053 0.5 0.5
Echinococcus multilocularis methionyl aminopeptidase 2 0.0053 0.5 0.5
Echinococcus granulosus methionyl aminopeptidase 2 0.0053 0.5 0.5
Onchocerca volvulus Methionine aminopeptidase 2 homolog 0.0053 0.5 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0053 0.5 0.5
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0053 0.5 0.5
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0053 0.5 0.5
Giardia lamblia Methionine aminopeptidase 0.0053 0.5 0.5
Toxoplasma gondii methionine aminopeptidase 2, putative 0.0053 0.5 0.5
Entamoeba histolytica methionine aminopeptidase, putative 0.0053 0.5 0.5
Plasmodium vivax methionine aminopeptidase 2, putative 0.0053 0.5 0.5
Leishmania major methionine aminopeptidase 2, putative 0.0053 0.5 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0053 0.5 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0053 0.5 0.5
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0053 0.5 0.5
Trypanosoma brucei methionine aminopeptidase 2, putative 0.0053 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 0.32 uM Antiproliferative activity against HT1080 cells ChEMBL. 17350258
EC50 (functional) = 0.32 uM Antiproliferative activity against HT1080 cells ChEMBL. 17350258
EC50 (functional) = 2.9 uM Antiproliferative activity against HT1080 cells in presence of 40 mg/ml HSA ChEMBL. 17350258
EC50 (functional) = 2.9 uM Antiproliferative activity against HT1080 cells in presence of 40 mg/ml HSA ChEMBL. 17350258
IC50 (binding) = 0.017 uM Inhibition of MetAP2 ChEMBL. 17350258
IC50 (binding) = 0.017 uM Inhibition of MetAP2 ChEMBL. 17350258
IC50 (binding) = 0.096 uM Inhibition of MetAP2 in presence of 40 mg/ml HSA ChEMBL. 17350258
IC50 (binding) = 0.096 uM Inhibition of MetAP2 in presence of 40 mg/ml HSA ChEMBL. 17350258

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 17350258

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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