Detailed information for compound 1766476

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 385.211 | Formula: C18H13BrN2O3
  • H donors: 0 H acceptors: 2 LogP: 4.13 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1cccc(c1)/C=C/c1nnc(o1)c1ccc2c(c1)OCCO2
  • InChi: 1S/C18H13BrN2O3/c19-14-3-1-2-12(10-14)4-7-17-20-21-18(24-17)13-5-6-15-16(11-13)23-9-8-22-15/h1-7,10-11H,8-9H2/b7-4+
  • InChiKey: FXYKNQQGXRTHKG-QPJJXVBHSA-N  

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 methionyl aminopeptidase 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Giardia lamblia Methionine aminopeptidase 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
Leishmania mexicana methionine aminopeptidase 2, putative Get druggable targets OG5_127231 All targets in OG5_127231
Trypanosoma brucei 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
Leishmania braziliensis methionine aminopeptidase 2, putative 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 cruzi metallo-peptidase, Clan MG, Family M24 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
Candida albicans methionine aminopeptidase 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
Onchocerca volvulus Methionine aminopeptidase 2 homolog 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
Echinococcus multilocularis methionyl aminopeptidase 2 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
Leishmania major methionine aminopeptidase 2, putative 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
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 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
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 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
Brugia malayi 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
Plasmodium vivax methionine aminopeptidase 2, putative 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
Leishmania donovani metallo-peptidase, Clan MG, Family M24 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
Schistosoma japonicum ko:K01265 methionyl aminopeptidase [EC3.4.11.18], 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
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 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
Trypanosoma brucei gambiense methionine aminopeptidase 2, putative,metallo- peptidase, Clan MG, Family M24 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
Cryptosporidium hominis methionine aminopeptidase, type II 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

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
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0237 0.0499 0.0525
Loa Loa (eye worm) hypothetical protein 0.0125 0.0053 0.0056
Loa Loa (eye worm) hypothetical protein 0.0237 0.0499 0.0525
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0237 0.0499 0.0525
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0237 0.0499 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0237 0.0499 1
Loa Loa (eye worm) hypothetical protein 0.0237 0.0499 0.0525
Schistosoma mansoni coup transcription factor 0.0237 0.0499 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0237 0.0499 0.0525
Loa Loa (eye worm) hypothetical protein 0.0125 0.0053 0.0056
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0237 0.0499 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0125 0.0053 0.1071
Schistosoma mansoni steroid hormone receptor ad4bp 0.0237 0.0499 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0237 0.0499 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0237 0.0499 0.0499
Brugia malayi nuclear receptor NHR-88 0.0237 0.0499 0.0525
Brugia malayi nuclear receptor RXR 0.0125 0.0053 0.0056
Schistosoma mansoni thyroid hormone receptor 0.0237 0.0499 1
Brugia malayi nuclear hormone receptor 0.0237 0.0499 0.0525
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0237 0.0499 0.0525
Loa Loa (eye worm) hypothetical protein 0.0237 0.0499 0.0525
Schistosoma mansoni retinoic acid receptor RXR 0.0237 0.0499 1
Loa Loa (eye worm) hypothetical protein 0.0237 0.0499 0.0525
Echinococcus multilocularis ecdysone induced protein 78C 0.0237 0.0499 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0237 0.0499 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0237 0.0499 0.0525
Schistosoma mansoni nuclear hormone receptor 0.0237 0.0499 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0237 0.0499 0.0525
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0237 0.0499 0.0525
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0237 0.0499 0.0525
Brugia malayi steroid hormone receptor 0.0237 0.0499 0.0525
Echinococcus granulosus ecdysone induced protein 78C 0.0237 0.0499 1
Brugia malayi Steroid receptor seven-up type 2 0.0237 0.0499 0.0525
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0237 0.0499 1
Brugia malayi hypothetical protein 0.0125 0.0053 0.0056
Brugia malayi Nuclear hormone receptor-like 1 0.0125 0.0053 0.0056
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0237 0.0499 0.0525
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0125 0.0053 0.1071
Loa Loa (eye worm) hypothetical protein 0.0237 0.0499 0.0525
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0237 0.0499 1
Loa Loa (eye worm) steroid hormone receptor 0.0237 0.0499 0.0525
Schistosoma mansoni thyroid hormone receptor 0.0237 0.0499 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0125 0.0053 0.1071
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0237 0.0499 0.0525
Loa Loa (eye worm) hypothetical protein 0.0125 0.0053 0.0056
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0237 0.0499 0.0525
Schistosoma mansoni RAR-like nuclear receptor 0.0237 0.0499 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0237 0.0499 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0237 0.0499 1
Brugia malayi nuclear hormone receptor 0.2498 0.9501 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0237 0.0499 1
Echinococcus multilocularis FTZ F1 alpha 0.0237 0.0499 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0237 0.0499 1
Loa Loa (eye worm) hypothetical protein 0.0125 0.0053 0.0056
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0237 0.0499 0.0525
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0237 0.0499 0.0525
Loa Loa (eye worm) hypothetical protein 0.0237 0.0499 0.0525
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0237 0.0499 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0237 0.0499 0.0525
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0237 0.0499 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0237 0.0499 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0237 0.0499 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0237 0.0499 0.0525
Brugia malayi photoreceptor-specific nuclear receptor 0.0237 0.0499 0.0525
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0125 0.0053 0.0056
Loa Loa (eye worm) hypothetical protein 0.0125 0.0053 0.0056
Brugia malayi ecdysteroid receptor 0.0237 0.0499 0.0525
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0237 0.0499 0.0525
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0237 0.0499 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0237 0.0499 1
Onchocerca volvulus 0.0237 0.0499 0.0499
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0237 0.0499 1
Brugia malayi Nuclear hormone receptor-like 1 0.0125 0.0053 0.0056
Loa Loa (eye worm) hypothetical protein 0.0237 0.0499 0.0525
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0237 0.0499 0.0525
Echinococcus granulosus FTZ F1 alpha 0.0237 0.0499 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0237 0.0499 0.0525
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0237 0.0499 1
Brugia malayi hypothetical protein 0.0125 0.0053 0.0056
Loa Loa (eye worm) hypothetical protein 0.0237 0.0499 0.0525
Brugia malayi Nuclear hormone receptor-like 1 0.0237 0.0499 0.0525
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0237 0.0499 0.0525
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0237 0.0499 1
Onchocerca volvulus Bile acid receptor homolog 0.0237 0.0499 0.0499
Loa Loa (eye worm) nuclear receptor nhr-7B 0.2498 0.9501 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0125 0.0053 0.1071
Loa Loa (eye worm) hypothetical protein 0.2386 0.9055 0.9531
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0237 0.0499 0.0525

Activities

Activity type Activity value Assay description Source Reference
CC50 (ADMET) = 321.95 uM Cytotoxicity against HUVEC after 24 hrs by MTT assay ChEMBL. 23582273
IC50 (binding) = 10.71 uM Inhibition of MetAP2 (unknown origin) after 4 hrs ChEMBL. 23582273
IC50 (functional) = 13.53 uM Antiproliferative against HUVEC after 48 hrs by MTT assay ChEMBL. 23582273

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 23582273

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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