Detailed information for compound 1573348

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 346.346 | Formula: C19H17F3N2O
  • H donors: 2 H acceptors: 2 LogP: 4.18 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(cc(c1)C)C(c1[nH]cc(n1)c1ccc(cc1)C(F)(F)F)O
  • InChi: 1S/C19H17F3N2O/c1-11-7-12(2)9-14(8-11)17(25)18-23-10-16(24-18)13-3-5-15(6-4-13)19(20,21)22/h3-10,17,25H,1-2H3,(H,23,24)
  • InChiKey: NSBGLNBSPAHELA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Chlamydia trachomatis methionine aminopeptidase 0.0048 0.0433 0.5
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0048 0.0433 1
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 0.0048 0.0433 0.3341
Giardia lamblia Methionine aminopeptidase 0.0049 0.0444 0.5
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.0048 0.0433 0.0433
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (large chain) 0.0097 0.1152 1
Onchocerca volvulus 0.0444 0.628 1
Echinococcus multilocularis methionyl aminopeptidase 2 0.0049 0.0444 0.0444
Mycobacterium ulcerans methionine aminopeptidase 0.0048 0.0433 0.2173
Treponema pallidum methionine aminopeptidase (map) 0.0048 0.0433 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0072 0.0115
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0607 0.0967
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0607 0.0967
Entamoeba histolytica methionine aminopeptidase, putative 0.0049 0.0444 1
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0058 0.0574 1
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) 0.0048 0.0433 0.3341
Schistosoma mansoni microtubule-associated protein tau 0.0697 1 1
Trypanosoma brucei methionine aminopeptidase 2, putative 0.0049 0.0444 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0607 0.0967
Trichomonas vaginalis xanthine dehydrogenase, putative 0.0206 0.2759 1
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0048 0.0433 1
Echinococcus granulosus methionyl aminopeptidase 2 0.0049 0.0444 0.0444
Leishmania major methionine aminopeptidase 2, putative 0.0049 0.0444 0.7419
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.0061 0.062 0.33
Loa Loa (eye worm) methionine aminopeptidase type I 0.0048 0.0433 0.0689
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.0048 0.0433 0.7197
Treponema pallidum hypothetical protein 0.0033 0.0213 0.284
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0049 0.0444 1
Mycobacterium ulcerans carbon monoxyde dehydrogenase small chain CoxS 0.0039 0.0299 0.1368
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0058 0.0574 0.3019
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0072 0.0115
Onchocerca volvulus 0.005 0.0456 0.0618
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0048 0.0433 0.5
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0072 0.0115
Mycobacterium ulcerans carbon monoxide dehydrogenase 0.0136 0.1733 1
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxL_2 0.0097 0.1152 0.6505
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.0574 0.0574
Mycobacterium ulcerans hypothetical protein 0.0033 0.0213 0.0849
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0326 0.052
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0054 0.0516 0.0822
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (medium chain) 0.007 0.0745 0.6232
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0058 0.0574 0.0913
Plasmodium falciparum methionine aminopeptidase 2 0.0049 0.0444 1
Trichomonas vaginalis aldehyde oxidase, putative 0.0206 0.2759 1
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.0097 0.1152 0.6505
Mycobacterium ulcerans carbon monoxyde dehydrogenase small chain CoxS 0.0039 0.0299 0.1368
Echinococcus granulosus tumor protein p63 0.0341 0.4753 0.4753
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0048 0.0433 0.0433
Echinococcus multilocularis microtubule associated protein 2 0.0697 1 1
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0048 0.0433 0.0433
Loa Loa (eye worm) hypothetical protein 0.0444 0.628 1
Loa Loa (eye worm) hypothetical protein 0.0444 0.628 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.0574 0.0574
Loa Loa (eye worm) hypothetical protein 0.005 0.0456 0.0726
Plasmodium vivax methionine aminopeptidase 2, putative 0.0049 0.0444 1
Treponema pallidum quinoline 2-oxidoreductase 0.0033 0.0202 0.2466
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0048 0.0433 0.0433
Schistosoma mansoni hypothetical protein 0.0041 0.0326 0.0326
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0058 0.0574 0.3019
Loa Loa (eye worm) initiation factor 2-associated protein 0.0049 0.0444 0.0707
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0048 0.0433 0.0433
Onchocerca volvulus Methionine aminopeptidase 2 homolog 0.0049 0.0444 0.0599
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) 0.0049 0.0444 0.0444
Brugia malayi hypothetical protein 0.0444 0.628 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0072 0.0115
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxM_2 0.007 0.0745 0.4054
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0058 0.0574 0.4642
Trichomonas vaginalis xanthine dehydrogenase, putative 0.0206 0.2759 1
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0072 0.0115
Brugia malayi initiation factor 2-associated protein. 0.0049 0.0444 0.0707
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (small chain) 0.0039 0.0299 0.2104
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0607 0.0967
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0049 0.0444 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0326 0.052
Brugia malayi Methionine aminopeptidase protein type I 0.0048 0.0433 0.0689
Toxoplasma gondii methionine aminopeptidase 2, putative 0.0049 0.0444 1
Schistosoma mansoni cellular tumor antigen P53 0.005 0.0456 0.0456
Loa Loa (eye worm) hypothetical protein 0.0024 0.0072 0.0115
Mycobacterium ulcerans methionine aminopeptidase MapB 0.0048 0.0433 0.2173
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0049 0.0444 1
Mycobacterium ulcerans carbon monoxyde dehydrogenase medium chain CoxM 0.007 0.0745 0.4054
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0058 0.0574 0.0574
Echinococcus multilocularis tumor protein p63 0.0341 0.4753 0.4753

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 32.6427 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference

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

No literature references available for this target.

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