Detailed information for compound 1766471

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 324.306 | Formula: C18H13FN2O3
  • H donors: 0 H acceptors: 2 LogP: 3.53 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)/C=C/c1nnc(o1)c1ccc2c(c1)OCCO2
  • InChi: 1S/C18H13FN2O3/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: DNFXSQKWKWOPFM-QPJJXVBHSA-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 methionyl aminopeptidase 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Babesia bovis methionine aminopeptidase, type II family protein 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
Trypanosoma brucei 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
Schistosoma japonicum ko:K01265 methionyl aminopeptidase [EC3.4.11.18], putative 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
Leishmania mexicana 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
Plasmodium vivax methionine aminopeptidase 2, putative 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
Trypanosoma brucei gambiense methionine aminopeptidase 2, putative,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
Theileria parva methionine aminopeptidase, type II, 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
Giardia lamblia Methionine aminopeptidase Get druggable targets OG5_127231 All targets in OG5_127231
Candida albicans methionine aminopeptidase 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
Candida albicans methionine aminopeptidase 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
Plasmodium yoelii methionine aminopeptidase, type II, 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
Plasmodium berghei 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
Leishmania braziliensis 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
Neospora caninum hypothetical 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
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 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
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 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
Leishmania major 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 congolense metallo-peptidase, Clan MG, Family M24 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
Entamoeba histolytica methionine aminopeptidase, putative 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
Schistosoma mansoni serine/threonine protein kinase 0.0474 0.2966 1
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0055 0.0016 0.0016
Schistosoma mansoni serine/threonine protein kinase 0.0474 0.2966 1
Giardia lamblia G2/mitotic-specific cyclin B 0.032 0.1883 1
Echinococcus granulosus cyclin b3 0.0196 0.1009 0.3402
Echinococcus multilocularis cyclin B 0.032 0.1883 0.6348
Plasmodium falciparum protein kinase 5 0.0264 0.1489 0.9061
Trichomonas vaginalis AGC family protein kinase 0.0286 0.1643 0.8727
Entamoeba histolytica cyclin family protein 0.0196 0.1009 0.536
Echinococcus multilocularis aurora kinase A 0.0286 0.1643 0.554
Echinococcus granulosus cyclins 0.0196 0.1009 0.3402
Trichomonas vaginalis cyclin D, putative 0.0196 0.1009 0.536
Trichomonas vaginalis cyclin A, putative 0.032 0.1883 1
Leishmania major cyclin 0.032 0.1883 1
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0474 0.2966 0.2966
Trypanosoma cruzi cdc2-related kinase 1 0.0264 0.1489 0.7907
Loa Loa (eye worm) cyclin domain-containing protein 0.1474 1 1
Trypanosoma cruzi cdc2-related kinase 1 0.0264 0.1489 0.7907
Giardia lamblia Kinase, CMGC CDK 0.0264 0.1489 0.7907
Trypanosoma cruzi cdc2-related kinase 3 0.0264 0.1489 0.7907
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0196 0.1009 0.3402
Brugia malayi serine/threonine-protein kinase 6 0.0286 0.1643 0.1643
Entamoeba histolytica protein kinase domain containing protein 0.0286 0.1643 0.8727
Trypanosoma cruzi cyclin, putative 0.032 0.1883 1
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0286 0.1643 1
Echinococcus granulosus cyclins 0.0196 0.1009 0.3402
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0264 0.1489 0.5019
Loa Loa (eye worm) AUR protein kinase 0.0286 0.1643 0.1643
Trichomonas vaginalis conserved hypothetical protein 0.0196 0.1009 0.536
Schistosoma mansoni cyclin B 0.032 0.1883 0.6348
Giardia lamblia Kinase, CMGC CDK 0.0264 0.1489 0.7907
Loa Loa (eye worm) hypothetical protein 0.0258 0.1445 0.1445
Trichomonas vaginalis CMGC family protein kinase 0.0264 0.1489 0.7907
Trichomonas vaginalis AGC family protein kinase 0.0286 0.1643 0.8727
Trichomonas vaginalis CMGC family protein kinase 0.0264 0.1489 0.7907
Trypanosoma brucei aurora B kinase 0.0286 0.1643 0.8727
Schistosoma mansoni cyclin B3 0.0196 0.1009 0.3402
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0264 0.1489 0.7907
Entamoeba histolytica cyclin, putative 0.0196 0.1009 0.536
Entamoeba histolytica cell division protein kinase 2, putative 0.0264 0.1489 0.7907
Entamoeba histolytica protein kinase , putative 0.0286 0.1643 0.8727
Trichomonas vaginalis AGC family protein kinase 0.0286 0.1643 0.8727
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0286 0.1643 0.8727
Brugia malayi Protein kinase domain containing protein 0.0264 0.1489 0.1489
Trichomonas vaginalis cyclin D, putative 0.0196 0.1009 0.536
Trypanosoma brucei mitotic cyclin 6 0.032 0.1883 1
Loa Loa (eye worm) hypothetical protein 0.032 0.1883 0.1883
Trichomonas vaginalis cyclin B3, putative 0.0196 0.1009 0.536
Giardia lamblia Hypothetical protein 0.0196 0.1009 0.536
Onchocerca volvulus 0.032 0.1883 1
Echinococcus multilocularis cyclins 0.0196 0.1009 0.3402
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0264 0.1489 0.1489
Brugia malayi cell division control protein 2 homolog 0.0264 0.1489 0.1489
Trypanosoma cruzi CYC2-like cyclin, putative 0.032 0.1883 1
Echinococcus multilocularis cyclins 0.0196 0.1009 0.3402
Trypanosoma brucei cdc2-related kinase 3 0.0264 0.1489 0.7907
Echinococcus granulosus aurora kinase A 0.0286 0.1643 0.554
Trypanosoma cruzi cyclin 6, putative 0.032 0.1883 1
Trichomonas vaginalis cyclins, putative 0.032 0.1883 1
Schistosoma mansoni serine/threonine protein kinase 0.0264 0.1489 0.5019
Schistosoma mansoni cyclins 0.0196 0.1009 0.3402
Brugia malayi Cyclin, N-terminal domain containing protein 0.0196 0.1009 0.1009
Brugia malayi serine/threonine kinase 12 0.0286 0.1643 0.1643
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0286 0.1643 0.554
Echinococcus multilocularis cyclins 0.0196 0.1009 0.3402
Trichomonas vaginalis cyclins, putative 0.0196 0.1009 0.536
Entamoeba histolytica protein kinase, putative 0.0286 0.1643 0.8727
Echinococcus granulosus cyclin B 0.032 0.1883 0.6348
Echinococcus granulosus cyclin dependent kinase 0.0264 0.1489 0.5019
Echinococcus granulosus beta-adrenergic receptor kinase 0.0474 0.2966 1
Echinococcus multilocularis cyclins 0.0196 0.1009 0.3402
Loa Loa (eye worm) hypothetical protein 0.0124 0.0504 0.0504
Echinococcus multilocularis G protein coupled receptor kinase 1 0.0426 0.2625 0.8849
Brugia malayi Cyclin, N-terminal domain containing protein 0.032 0.1883 0.1883
Echinococcus granulosus cyclin B3 1 0.0196 0.1009 0.3402
Brugia malayi serine/threonine protein kinase 6 0.0286 0.1643 0.1643
Schistosoma mansoni protein kinase 0.0286 0.1643 0.554
Trichomonas vaginalis cyclin B, putative 0.032 0.1883 1
Loa Loa (eye worm) hypothetical protein 0.032 0.1883 0.1883
Echinococcus multilocularis cyclins 0.0196 0.1009 0.3402
Echinococcus granulosus G protein coupled receptor kinase 1 0.0426 0.2625 0.8849
Trichomonas vaginalis cyclins, putative 0.0172 0.0837 0.4443
Trypanosoma cruzi aurora B kinase, putative 0.0286 0.1643 0.8727
Echinococcus granulosus cyclin dependent kinase 1 0.0264 0.1489 0.5019
Trypanosoma cruzi cyclin, putative 0.032 0.1883 1
Echinococcus multilocularis beta adrenergic receptor kinase 0.0474 0.2966 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0264 0.1489 0.1489
Echinococcus multilocularis cyclin b3 0.0196 0.1009 0.3402
Toxoplasma gondii aurora kinase 0.0286 0.1643 1
Trichomonas vaginalis cyclin B, putative 0.032 0.1883 1
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0286 0.1643 0.8727
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.0016 0.0053
Echinococcus granulosus cyclins 0.0196 0.1009 0.3402
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0264 0.1489 0.9061
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0196 0.1009 0.3402
Echinococcus multilocularis cyclin dependent kinase 0.0264 0.1489 0.5019
Loa Loa (eye worm) AUR protein kinase 0.0286 0.1643 0.1643
Echinococcus multilocularis cyclin dependent kinase 5 0.0264 0.1489 0.5019
Echinococcus multilocularis cyclin dependent kinase 1 0.0264 0.1489 0.5019
Trichomonas vaginalis AGC family protein kinase 0.0286 0.1643 0.8727
Trichomonas vaginalis CMGC family protein kinase 0.0264 0.1489 0.7907
Echinococcus granulosus cyclins 0.0196 0.1009 0.3402
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0264 0.1489 0.7907
Echinococcus multilocularis cyclin B3 1 0.0196 0.1009 0.3402
Loa Loa (eye worm) cyclin domain-containing protein 0.0196 0.1009 0.1009
Echinococcus multilocularis cyclin dependent kinase 1 0.0264 0.1489 0.5019
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0055 0.0016 0.0016
Echinococcus granulosus cyclins 0.0196 0.1009 0.3402
Toxoplasma gondii hypothetical protein 0.0149 0.0676 0.4116
Trichomonas vaginalis cyclin B, putative 0.032 0.1883 1
Entamoeba histolytica cyclin family protein 0.0196 0.1009 0.536
Loa Loa (eye worm) AUR protein kinase 0.0286 0.1643 0.1643
Trypanosoma cruzi cdc2-related kinase 3 0.0264 0.1489 0.7907
Trichomonas vaginalis cyclins, putative 0.032 0.1883 1
Trichomonas vaginalis cyclin B, putative 0.032 0.1883 1
Entamoeba histolytica cell division protein kinase 2, putative 0.0264 0.1489 0.7907
Entamoeba histolytica cyclin, putative 0.032 0.1883 1
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0286 0.1643 0.554
Entamoeba histolytica protein kinase, putative 0.0286 0.1643 0.8727
Trypanosoma brucei cdc2-related kinase 1 0.0264 0.1489 0.7907
Echinococcus multilocularis cyclins 0.0196 0.1009 0.3402
Plasmodium vivax protein kinase Crk2 0.0264 0.1489 0.9061
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0264 0.1489 0.1489
Plasmodium falciparum serine/threonine protein kinase, putative 0.0286 0.1643 1
Schistosoma mansoni serine/threonine protein kinase 0.0264 0.1489 0.5019
Schistosoma mansoni serine/threonine protein kinase 0.0286 0.1643 0.554
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0286 0.1643 0.8727
Giardia lamblia Aurora kinase 0.0286 0.1643 0.8727
Plasmodium falciparum cyclin 0.0196 0.1009 0.6142
Echinococcus granulosus cyclin dependent kinase 5 0.0264 0.1489 0.5019
Trichomonas vaginalis cyclins, putative 0.032 0.1883 1
Giardia lamblia Cyclin A 0.0196 0.1009 0.536
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.032 0.1883 1
Echinococcus multilocularis cyclins 0.0196 0.1009 0.3402
Brugia malayi Cyclin, N-terminal domain containing protein 0.032 0.1883 0.1883
Trichomonas vaginalis cyclins, putative 0.032 0.1883 1
Trichomonas vaginalis cyclin B, putative 0.0196 0.1009 0.536
Leishmania major protein kinase, putative 0.0286 0.1643 0.8727

Activities

Activity type Activity value Assay description Source Reference
CC50 (ADMET) = 295.27 uM Cytotoxicity against HUVEC after 24 hrs by MTT assay ChEMBL. 23582273
IC50 (functional) = 3.53 uM Antiproliferative against HUVEC after 48 hrs by MTT assay ChEMBL. 23582273
IC50 (binding) = 4.79 uM Inhibition of MetAP2 (unknown origin) after 4 hrs 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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