Detailed information for compound 932318

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 239.741 | Formula: C13H18ClNO
  • H donors: 0 H acceptors: 1 LogP: 2.9 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CC1Cc2c(C1=O)cc(cc2)C)C.Cl
  • InChi: 1S/C13H17NO.ClH/c1-9-4-5-10-7-11(8-14(2)3)13(15)12(10)6-9;/h4-6,11H,7-8H2,1-3H3;1H
  • InChiKey: BZPHQMITYNXLPV-UHFFFAOYSA-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 1 Starlite/ChEMBL References
Escherichia coli methionine aminopeptidase Starlite/ChEMBL References
Staphylococcus aureus (strain COL) Methionine aminopeptidase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium yoelii methionine aminopeptidase, type I Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium vivax methionine aminopeptidase 1a, putative Get druggable targets OG5_126721 All targets in OG5_126721
Theileria parva methionine aminopeptidase, type I, putative Get druggable targets OG5_126721 All targets in OG5_126721
Leishmania donovani metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium falciparum methionine aminopeptidase 1b, putative Get druggable targets OG5_126721 All targets in OG5_126721
Theileria parva methionine aminopeptidase, type I, putative Get druggable targets OG5_126721 All targets in OG5_126721
Cryptosporidium hominis methionine aminopeptidase 1 (MetAP 1) (MAP 1) (Peptidase M 1) Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium berghei methionine aminopeptidase 1a, putative Get druggable targets OG5_126721 All targets in OG5_126721
Leishmania infantum methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma brucei gambiense methionine aminopeptidase, putative,metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium knowlesi methionine aminopeptidase 1a, putative Get druggable targets OG5_126721 All targets in OG5_126721
Chlamydia trachomatis methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Babesia bovis methionine aminopeptidase, putative Get druggable targets OG5_126721 All targets in OG5_126721
Mycobacterium ulcerans methionine aminopeptidase MapB Get druggable targets OG5_126721 All targets in OG5_126721
Schistosoma japonicum Methionine aminopeptidase 1, putative Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium falciparum methionine aminopeptidase 1a, putative Get druggable targets OG5_126721 All targets in OG5_126721
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Neospora caninum methionine aminopeptidase, putative Get druggable targets OG5_126721 All targets in OG5_126721
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) Get druggable targets OG5_126721 All targets in OG5_126721
Cryptosporidium parvum methionine aminopeptidase with MYND finger at N-terminus Get druggable targets OG5_126721 All targets in OG5_126721
Candida albicans methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Schistosoma japonicum ko:K01265 methionyl aminopeptidase [EC3.4.11.18], putative Get druggable targets OG5_126721 All targets in OG5_126721
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) Get druggable targets OG5_126721 All targets in OG5_126721
Toxoplasma gondii methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Loa Loa (eye worm) methionine aminopeptidase type I Get druggable targets OG5_126721 All targets in OG5_126721
Neospora caninum methionine aminopeptidase, putative Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium vivax methionine aminopeptidase 1b, putative Get druggable targets OG5_126721 All targets in OG5_126721
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma brucei methionine aminopeptidase, type I, putative Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) Get druggable targets OG5_126721 All targets in OG5_126721
Echinococcus granulosus methionyl aminopeptidase 1 M24 family Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma brucei methionine aminopeptidase, putative Get druggable targets OG5_126721 All targets in OG5_126721
Leishmania mexicana methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Treponema pallidum methionine aminopeptidase (map) Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium yoelii methionine aminopeptidase, type I, putative Get druggable targets OG5_126721 All targets in OG5_126721
Toxoplasma gondii methionine aminopeptidase, type i, putative Get druggable targets OG5_126721 All targets in OG5_126721
Toxoplasma gondii methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Babesia bovis methionine aminopeptidase, putative Get druggable targets OG5_126721 All targets in OG5_126721
Leishmania braziliensis methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) Get druggable targets OG5_126721 All targets in OG5_126721
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium berghei methionine aminopeptidase 1b, putative Get druggable targets OG5_126721 All targets in OG5_126721
Neospora caninum methionine aminopeptidase, putative Get druggable targets OG5_126721 All targets in OG5_126721
Brugia malayi Methionine aminopeptidase protein type I Get druggable targets OG5_126721 All targets in OG5_126721
Mycobacterium ulcerans methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium knowlesi methionine aminopeptidase 1b, putative Get druggable targets OG5_126721 All targets in OG5_126721
Schistosoma japonicum ko:K01265 methionyl aminopeptidase [EC3.4.11.18], putative Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Candida albicans methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus Xaa Pro aminopeptidase 3 Methionine aminopeptidase   252 aa 246 aa 21.5 %
Mycobacterium ulcerans dipeptidase Methionine aminopeptidase   252 aa 219 aa 24.2 %
Brugia malayi initiation factor 2-associated protein. Methionine aminopeptidase   252 aa 209 aa 23.0 %
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 Methionine aminopeptidase   252 aa 223 aa 24.2 %
Mycobacterium ulcerans cytoplasmic peptidase PepQ Methionine aminopeptidase   252 aa 219 aa 25.6 %
Cryptosporidium parvum methionine aminopeptidase, type II, putative , an1 domain Methionine aminopeptidase   252 aa 217 aa 24.4 %
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 Methionine aminopeptidase   252 aa 242 aa 19.4 %
Leishmania braziliensis aminopeptidase P, putative,metallo-peptidase, Clan MG, Family M24 Methionine aminopeptidase   252 aa 292 aa 21.2 %
Echinococcus multilocularis methionyl aminopeptidase 2 Methionine aminopeptidase   252 aa 223 aa 23.3 %
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 Methionine aminopeptidase   252 aa 223 aa 24.2 %
Giardia lamblia Xaa-Pro dipeptidase Methionine aminopeptidase   252 aa 225 aa 21.3 %
Chlamydia trachomatis aminopeptidase P Methionine aminopeptidase   252 aa 205 aa 26.8 %
Echinococcus granulosus methionine aminopeptidase type I Methionine aminopeptidase   252 aa 271 aa 29.9 %
Onchocerca volvulus Methionine aminopeptidase   252 aa 224 aa 23.7 %
Leishmania major methionine aminopeptidase 2, putative Methionine aminopeptidase   252 aa 225 aa 25.8 %
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24, putative Methionine aminopeptidase   252 aa 287 aa 18.1 %
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 Methionine aminopeptidase   252 aa 227 aa 25.1 %
Trypanosoma brucei gambiense methionine aminopeptidase 2, putative,metallo- peptidase, Clan MG, Family M24 Methionine aminopeptidase   252 aa 227 aa 25.1 %
Cryptosporidium hominis methionine aminopeptidase, type II Methionine aminopeptidase   252 aa 217 aa 24.0 %
Echinococcus multilocularis methionine aminopeptidase, type I Methionine aminopeptidase   252 aa 270 aa 29.6 %
Onchocerca volvulus Methionine aminopeptidase   252 aa 244 aa 28.7 %
Leishmania mexicana methionine aminopeptidase 2, putative Methionine aminopeptidase   252 aa 225 aa 26.2 %
Candida albicans methionine aminopeptidase Methionine aminopeptidase   252 aa 222 aa 23.9 %
Leishmania donovani metallo-peptidase, Clan MG, Family M24 Methionine aminopeptidase   252 aa 225 aa 26.2 %
Plasmodium vivax methionine aminopeptidase 2, putative Methionine aminopeptidase   252 aa 227 aa 23.8 %
Candida albicans aminopeptidase Methionine aminopeptidase   252 aa 226 aa 22.1 %
Trypanosoma brucei gambiense aminopeptidase P, putative,metallo-peptidase, Clan MG, Family M24 Methionine aminopeptidase   252 aa 242 aa 19.4 %
Schistosoma mansoni peptidase Methionine aminopeptidase   252 aa 268 aa 27.6 %
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) Methionine aminopeptidase   252 aa 226 aa 24.3 %
Leishmania braziliensis methionine aminopeptidase 2, putative Methionine aminopeptidase   252 aa 224 aa 26.3 %
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase Methionine aminopeptidase   252 aa 298 aa 22.5 %
Onchocerca volvulus Methionine aminopeptidase   252 aa 243 aa 21.8 %
Toxoplasma gondii methionine aminopeptidase 2, putative Methionine aminopeptidase   252 aa 229 aa 26.2 %
Dictyostelium discoideum Xaa-Pro aminopeptidase 3 Methionine aminopeptidase   252 aa 277 aa 20.2 %
Leishmania donovani aminopeptidase P, putative Methionine aminopeptidase   252 aa 285 aa 20.7 %
Schistosoma japonicum ko:K01265 methionyl aminopeptidase [EC3.4.11.18], putative Methionine aminopeptidase   252 aa 226 aa 23.0 %
Leishmania infantum aminopeptidase P, putative,metallo-peptidase, Clan MG, Family M24 Methionine aminopeptidase   252 aa 285 aa 20.7 %
Neospora caninum hypothetical protein Methionine aminopeptidase   252 aa 229 aa 26.6 %
Entamoeba histolytica methionine aminopeptidase, putative Methionine aminopeptidase   252 aa 215 aa 23.3 %
Candida albicans aminopeptidase Methionine aminopeptidase   252 aa 226 aa 22.1 %
Schistosoma japonicum ko:K01262 X-Pro aminopeptidase [EC3.4.11.9], putative Methionine aminopeptidase   252 aa 261 aa 23.4 %
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase Methionine aminopeptidase   252 aa 285 aa 22.8 %
Trypanosoma congolense metallo-peptidase, Clan MG, Family M24 Methionine aminopeptidase   252 aa 223 aa 24.2 %
Mycobacterium tuberculosis Dipeptidase PepE Methionine aminopeptidase   252 aa 246 aa 28.0 %
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase Methionine aminopeptidase   252 aa 299 aa 21.4 %
Echinococcus granulosus methionyl aminopeptidase 2 Methionine aminopeptidase   252 aa 223 aa 23.3 %
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase Methionine aminopeptidase   252 aa 225 aa 23.1 %
Toxoplasma gondii methionine aminopeptidase 2, putative methionyl aminopeptidase 1 386 aa 313 aa 20.4 %
Trypanosoma congolense metallo-peptidase, Clan MG, Family M24 Methionine aminopeptidase   252 aa 289 aa 18.7 %
Schistosoma japonicum ko:K01265 methionyl aminopeptidase [EC3.4.11.18], putative Methionine aminopeptidase   252 aa 273 aa 26.4 %
Echinococcus multilocularis Xaa Pro aminopeptidase 3 Methionine aminopeptidase   252 aa 247 aa 22.3 %
Loa Loa (eye worm) hypothetical protein Methionine aminopeptidase   252 aa 243 aa 23.0 %
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase Methionine aminopeptidase   252 aa 219 aa 23.3 %
Mycobacterium ulcerans aminopeptidase Methionine aminopeptidase   252 aa 213 aa 21.1 %
Babesia bovis methionine aminopeptidase, type II family protein Methionine aminopeptidase   252 aa 221 aa 24.4 %
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase Methionine aminopeptidase   252 aa 270 aa 22.6 %
Candida albicans methionine aminopeptidase Methionine aminopeptidase   252 aa 222 aa 23.9 %
Mycobacterium ulcerans dipeptidase PepE Methionine aminopeptidase   252 aa 247 aa 25.5 %
Plasmodium knowlesi methionine aminopeptidase 2, putative Methionine aminopeptidase   252 aa 227 aa 24.7 %
Leishmania mexicana aminopeptidase P, putative Methionine aminopeptidase   252 aa 285 aa 20.4 %
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase Methionine aminopeptidase   252 aa 270 aa 20.0 %
Leishmania infantum methionine aminopeptidase 2, putative Methionine aminopeptidase   252 aa 225 aa 26.2 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma brucei methionine aminopeptidase, putative 0.0158 1 0.5
Mycobacterium ulcerans methionine aminopeptidase 0.0138 0 0.5
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.0158 1 0.5
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) 0.0138 0 0.5
Treponema pallidum methionine aminopeptidase (map) 0.0138 0 0.5
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0138 0 0.5
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0138 0 0.5
Toxoplasma gondii methionine aminopeptidase 0.0158 1 1
Chlamydia trachomatis methionine aminopeptidase 0.0138 0 0.5
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0138 0 0.5
Mycobacterium ulcerans methionine aminopeptidase MapB 0.0138 0 0.5
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0158 1 0.5
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0158 1 0.5
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.0158 1 1
Loa Loa (eye worm) methionine aminopeptidase type I 0.0158 1 0.5
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 0.0138 0 0.5
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0158 1 1
Plasmodium vivax methionine aminopeptidase 1b, putative 0.0158 1 1
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.0158 1 0.5
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0138 0 0.5
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.0158 1 0.5
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.0158 1 0.5
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0138 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) Inhibition of human MetAP-2 expressed in Sf9 cells incubated for 60 mins before MGMM substrate addition by fluorescence assay ChEMBL. 25293447
IC50 (binding) = 0.7 uM Inhibition of C-terminal poly-His-tagged Escherichia coli MetAP expressed in Escherichia coli BL21(DE3) incubated for 30 mins before MGMM substrate addition by fluorescence assay ChEMBL. 25293447
IC50 (binding) = 15 uM Inhibition of N-terminal poly-His-tagged Staphylococcus aureus COL MetAP expressed in Escherichia coli BL21(DE3) incubated for 30 mins before MGMM substrate addition by fluorescence assay ChEMBL. 25293447
IC50 (binding) = 16.2 uM Inhibition of N-terminal poly-His-tagged human MetAP-1 expressed in Escherichia coli BL21(DE3) incubated for 30 mins before MGMM substrate addition by fluorescence assay ChEMBL. 25293447

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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