Detailed information for compound 1779462

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 492.443 | Formula: C27H27Cl2N5
  • H donors: 2 H acceptors: 3 LogP: 6.22 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(nc1)c1nc(NC[C@@H](c2ccccc2)NCCCc2ccccc2)c(c(n1)C)Cl
  • InChi: 1S/C27H27Cl2N5/c1-19-25(29)27(34-26(33-19)23-15-14-22(28)17-31-23)32-18-24(21-12-6-3-7-13-21)30-16-8-11-20-9-4-2-5-10-20/h2-7,9-10,12-15,17,24,30H,8,11,16,18H2,1H3,(H,32,33,34)/t24-/m0/s1
  • InChiKey: DETOUWRFPMAESD-DEOSSOPVSA-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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium falciparum 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
Plasmodium vivax methionine aminopeptidase 1a, 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
Leishmania mexicana 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
Trypanosoma congolense metallo- peptidase, Clan MG, Family M24 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
Neospora caninum 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
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 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
Candida albicans methionine aminopeptidase 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
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 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
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 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
Leishmania infantum methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 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
Cryptosporidium hominis methionine aminopeptidase 1 (MetAP 1) (MAP 1) (Peptidase M 1) 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
Plasmodium yoelii methionine aminopeptidase, type I, 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
Trypanosoma brucei gambiense methionine aminopeptidase, putative,metallo- peptidase, Clan MG, Family M24 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
Babesia bovis methionine aminopeptidase, putative 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
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
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
Babesia bovis methionine aminopeptidase, putative 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
Chlamydia trachomatis methionine aminopeptidase 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
Candida albicans 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
Toxoplasma gondii methionine aminopeptidase 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
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Toxoplasma gondii methionine aminopeptidase 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
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 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
Theileria parva methionine aminopeptidase, type I, putative 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
Schistosoma japonicum Methionine aminopeptidase 1, putative 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 1b, putative 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
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 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
Toxoplasma gondii methionine aminopeptidase 2, putative methionyl aminopeptidase 1 386 aa 313 aa 20.4 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Onchocerca volvulus 0.0035 0.0248 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0035 0.0248 0.0248
Onchocerca volvulus 0.0035 0.0248 0.5
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0034 0 0.5
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0035 0.0248 1
Echinococcus multilocularis somatostatin receptor 0.0035 0.0248 0.0248
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0054 1 0.5
Onchocerca volvulus 0.0035 0.0248 0.5
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0035 0.0248 0.0248
Echinococcus multilocularis neuropeptide Y receptor 0.0035 0.0248 0.0248
Onchocerca volvulus 0.0035 0.0248 0.5
Onchocerca volvulus Neuropeptide F receptor homolog 0.0035 0.0248 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0035 0.0248 0.0248
Echinococcus multilocularis g protein coupled receptor 0.0035 0.0248 0.0248
Schistosoma mansoni opsin-like receptor 0.0035 0.0248 1
Loa Loa (eye worm) methionine aminopeptidase type I 0.0054 1 1
Schistosoma mansoni amine GPCR 0.0035 0.0248 1
Schistosoma mansoni neuropeptide f receptor 76f 0.0035 0.0248 1
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.0054 1 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0035 0.0248 0.0248
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0035 0.0248 0.0248
Onchocerca volvulus 0.0035 0.0248 0.5
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0035 0.0248 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0035 0.0248 0.0248
Onchocerca volvulus 0.0035 0.0248 0.5
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0035 0.0248 1
Echinococcus multilocularis sex peptide receptor 0.0035 0.0248 0.0248
Onchocerca volvulus 0.0035 0.0248 0.5
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0035 0.0248 1
Schistosoma mansoni hypothetical protein 0.0035 0.0248 1
Echinococcus multilocularis allatostatin A receptor 0.0035 0.0248 0.0248
Chlamydia trachomatis methionine aminopeptidase 0.0034 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0035 0.0248 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0035 0.0248 0.0248
Schistosoma mansoni biogenic amine (5HT) receptor 0.0035 0.0248 1
Schistosoma mansoni neuropeptide receptor 0.0035 0.0248 1
Echinococcus multilocularis orexin receptor type 2 0.0035 0.0248 0.0248
Schistosoma mansoni biogenic amine receptor 0.0035 0.0248 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0035 0.0248 1
Echinococcus multilocularis neuropeptide receptor 0.0035 0.0248 0.0248
Onchocerca volvulus 0.0035 0.0248 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.0035 0.0248 1
Schistosoma mansoni opsin-like receptor 0.0035 0.0248 1
Schistosoma mansoni hypothetical protein 0.0035 0.0248 1
Onchocerca volvulus 0.0035 0.0248 0.5
Mycobacterium ulcerans methionine aminopeptidase MapB 0.0034 0 0.5
Schistosoma mansoni histamine h1 receptor 0.0035 0.0248 1
Schistosoma mansoni alpha-1 adrenergic receptor 0.0035 0.0248 1
Plasmodium vivax methionine aminopeptidase 1b, putative 0.0054 1 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0035 0.0248 0.0248
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0035 0.0248 0.0248
Echinococcus multilocularis fmrfamide receptor 0.0035 0.0248 0.0248
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0035 0.0248 0.0248
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0035 0.0248 1
Onchocerca volvulus 0.0035 0.0248 0.5
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0035 0.0248 0.0248
Onchocerca volvulus 0.0035 0.0248 0.5
Schistosoma mansoni amine GPCR 0.0035 0.0248 1
Echinococcus multilocularis g protein coupled receptor 0.0035 0.0248 0.0248
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0034 0 0.5
Toxoplasma gondii methionine aminopeptidase 0.0054 1 1
Echinococcus multilocularis G protein coupled receptor 139 0.0035 0.0248 0.0248
Schistosoma mansoni biogenic amine (5HT) receptor 0.0035 0.0248 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0035 0.0248 0.0248
Schistosoma mansoni biogenic amine receptor 0.0035 0.0248 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0035 0.0248 0.0248
Schistosoma mansoni hypothetical protein 0.0035 0.0248 1
Onchocerca volvulus 0.0035 0.0248 0.5
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0035 0.0248 1
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.0054 1 0.5
Echinococcus multilocularis neuropeptide receptor A26 0.0035 0.0248 0.0248
Echinococcus multilocularis rhodopsin orphan GPCR 0.0035 0.0248 0.0248
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0035 0.0248 0.0248
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0035 0.0248 1
Echinococcus multilocularis neuropeptide FF receptor 2 0.0035 0.0248 0.0248
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0035 0.0248 1
Echinococcus multilocularis neuropeptide Y receptor 0.0035 0.0248 0.0248
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0035 0.0248 0.5
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0035 0.0248 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0035 0.0248 1
Schistosoma mansoni amine GPCR 0.0035 0.0248 1
Schistosoma mansoni neuropeptide F-like receptor 0.0035 0.0248 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0035 0.0248 0.0248
Schistosoma mansoni myosin xvIII 0.0035 0.0248 1
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0035 0.0248 0.0248
Echinococcus multilocularis neuropeptide s receptor 0.0035 0.0248 0.0248
Treponema pallidum methionine aminopeptidase (map) 0.0034 0 0.5
Echinococcus multilocularis fmrfamide receptor 0.0035 0.0248 0.0248
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0035 0.0248 1
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0035 0.0248 0.0248
Echinococcus multilocularis g-protein coupled receptor 0.0035 0.0248 0.0248
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 0.0034 0 0.5
Schistosoma mansoni biogenic amine receptor 0.0035 0.0248 1
Echinococcus multilocularis g protein coupled receptor 0.0035 0.0248 0.0248
Onchocerca volvulus 0.0035 0.0248 0.5
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0035 0.0248 1
Onchocerca volvulus 0.0035 0.0248 0.5
Schistosoma mansoni amine GPCR 0.0035 0.0248 1
Schistosoma mansoni adenoreceptor 0.0035 0.0248 1
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.0054 1 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0035 0.0248 0.0248
Onchocerca volvulus 0.0035 0.0248 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0035 0.0248 1
Echinococcus multilocularis serotonin receptor 0.0035 0.0248 0.0248
Schistosoma mansoni opsin-like receptor 0.0035 0.0248 1
Trypanosoma brucei methionine aminopeptidase, putative 0.0054 1 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0035 0.0248 0.0248
Schistosoma mansoni hypothetical protein 0.0035 0.0248 1
Echinococcus multilocularis dro:myosuppressin receptor 0.0035 0.0248 0.0248
Echinococcus multilocularis rhodopsin orphan GPCR 0.0035 0.0248 0.0248
Schistosoma mansoni neuropeptide receptor 0.0035 0.0248 1
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0034 0 0.5
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) 0.0034 0 0.5
Schistosoma mansoni amine GPCR 0.0035 0.0248 1
Schistosoma mansoni growth hormone secretagogue receptor 0.0035 0.0248 1
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.0054 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0035 0.0248 1
Onchocerca volvulus 0.0035 0.0248 0.5
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0035 0.0248 1
Schistosoma mansoni neuropeptide receptor 0.0035 0.0248 1
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.0054 1 1
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0035 0.0248 1
Echinococcus multilocularis G-protein coupled receptor, putative 0.0035 0.0248 0.0248
Mycobacterium ulcerans methionine aminopeptidase 0.0034 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0035 0.0248 1
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0054 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0035 0.0248 0.0248
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0035 0.0248 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0035 0.0248 1
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0035 0.0248 0.0248
Schistosoma mansoni neuropeptide receptor 0.0035 0.0248 1
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0054 1 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0035 0.0248 1
Echinococcus multilocularis neuropeptides capa receptor 0.0035 0.0248 0.0248
Echinococcus multilocularis neuropeptide receptor 0.0035 0.0248 0.0248
Echinococcus multilocularis serotonin receptor 0.0035 0.0248 0.0248
Onchocerca volvulus 0.0035 0.0248 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 0.26 uM Inhibition of human recombinant full-length cytosolic METAP1 expressed in Escherichia coli BL21(DE3) using Met-Pro-p-nitroanilide as substrate after 20 mins by spectrophotometric analysis in presence of Bacillus coagulans GST-tagged proline iminopeptidase ChEMBL. 23507151
EC50 (binding) > 300 uM Inhibition of human recombinant GST-6XHis-tagged full-length cytosolic METAP2 expressed in cabbage looper BTI-TN-5B1-4 cells using Met-Pro-p-nitroanilide as substrate after 20 mins by spectrophotometric analysis in presence of Bacillus coagulans GST-tagged proline iminopeptidase ChEMBL. 23507151

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.