Detailed information for compound 1428522

Basic information

Technical information
  • TDR Targets ID: 1428522
  • Name: G071-0212
  • MW: 526.002 | Formula: C25H17ClFN3O3S2
  • H donors: 0 H acceptors: 5 LogP: 5.13 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: Fc1ccc(cc1)CN1c2ccccc2c2c(S1(=O)=O)cnc(n2)SCC(=O)c1ccc(cc1)Cl
  • InChi: 1S/C25H17ClFN3O3S2/c26-18-9-7-17(8-10-18)22(31)15-34-25-28-13-23-24(29-25)20-3-1-2-4-21(20)30(35(23,32)33)14-16-5-11-19(27)12-6-16/h1-13H,14-15H2
  • InChiKey: SCTUMPVXZFWHKX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • NCGC00128439-01

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
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
Trichomonas vaginalis chromobox protein, putative 0.0084 0.1489 0.6936
Echinococcus granulosus calcium dependent protein kinase 0.0033 0.0398 0.1707
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0035 0.0444 0.7919
Loa Loa (eye worm) hypothetical protein 0.0016 0.0042 0.0199
Loa Loa (eye worm) hypothetical protein 0.0016 0.0042 0.0199
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0106 0.0305
Trichomonas vaginalis sugar transporter, putative 0.0035 0.0454 0.1973
Trypanosoma brucei glucose transporter, putative 0.0035 0.0454 0.8107
Brugia malayi Heterochromatin protein 1 0.0084 0.1489 0.6936
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0411 0.1766
Trichomonas vaginalis glucose transporter, putative 0.0035 0.0454 0.1973
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0034 0.0429 0.1855
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0035 0.0445 0.0617
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0016 0.0042 0.5
Leishmania major protein kinase, putative 0.0035 0.0444 0.7919
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0035 0.0444 0.1927
Echinococcus multilocularis lysyl tRNA synthetase 0.0025 0.0243 0.0961
Loa Loa (eye worm) sugar transporter 0.0016 0.0042 0.0199
Trypanosoma brucei glucose transporter 1E 0.0035 0.0454 0.8107
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0035 0.0445 0.0404
Plasmodium falciparum calcium-dependent protein kinase 5 0.0035 0.0445 0.0404
Trypanosoma brucei glucose transporter, putative 0.0035 0.0454 0.8107
Echinococcus multilocularis GPCR, family 2 0.0019 0.0106 0.0305
Trypanosoma cruzi hexose transporter, putative 0.0035 0.0454 0.8107
Leishmania major glucose transporter, lmgt2 0.0035 0.0454 0.8107
Schistosoma mansoni protein kinase 0.0035 0.0444 0.1927
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0114 0.2128 1
Entamoeba histolytica protein kinase, putative 0.0035 0.0444 1
Schistosoma mansoni hypothetical protein 0.0019 0.0106 0.0305
Trypanosoma brucei glucose transporter, putative 0.0035 0.0454 0.8107
Loa Loa (eye worm) hypothetical protein 0.0016 0.0042 0.0199
Giardia lamblia Prolyl-tRNA synthetase 0.0034 0.0429 1
Trypanosoma brucei glucose transporter, putative 0.0035 0.0454 0.8107
Schistosoma mansoni lysyl-tRNA synthetase 0.0025 0.0243 0.0961
Giardia lamblia Lysyl-tRNA synthetase 0.0025 0.0243 0.5182
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.004 0.055 1
Echinococcus granulosus lysyl tRNA synthetase 0.0025 0.0243 0.0961
Loa Loa (eye worm) hypothetical protein 0.0016 0.0042 0.0199
Loa Loa (eye worm) hypothetical protein 0.0016 0.0042 0.0199
Schistosoma mansoni hypothetical protein 0.0019 0.0106 0.0305
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0703 0.3169
Trypanosoma brucei THT1 - hexose transporter, putative 0.0035 0.0454 0.8107
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0576 0.2557
Loa Loa (eye worm) hypothetical protein 0.0028 0.0293 0.1375
Trypanosoma brucei glucose transporter, putative 0.0035 0.0454 0.8107
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0025 0.0243 0.0961
Schistosoma mansoni hypothetical protein 0.0019 0.0106 0.0305
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0035 0.0444 0.1927
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0703 0.8968
Plasmodium vivax hexose transporter 0.0114 0.2128 0.2094
Echinococcus multilocularis chromobox protein 1 0.0084 0.1489 0.6936
Trypanosoma brucei THT1 - hexose transporter, putative 0.0035 0.0454 0.8107
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0034 0.0429 0.1855
Loa Loa (eye worm) hypothetical protein 0.0034 0.0429 0.2017
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0034 0.0429 0.1855
Trichomonas vaginalis chromobox protein, putative 0.0084 0.1489 0.6936
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0106 0.0305
Trypanosoma brucei glucose transporter, putative 0.0035 0.0454 0.8107
Plasmodium vivax CDK-related protein kinase 6, putative 0.0485 1 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0487 0.2288
Trypanosoma brucei glucose transporter 2A 0.0035 0.0454 0.8107
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0114 0.2128 1
Schistosoma mansoni protein kinase 0.0035 0.0444 0.1927
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0779 0.3534
Echinococcus granulosus General substrate transporter 0.0098 0.1787 0.8364
Loa Loa (eye worm) hypothetical protein 0.0016 0.0042 0.0199
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.004 0.055 0.0779
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0779 0.3534
Brugia malayi Cam kinase protein 1 0.0035 0.0444 0.1927
Entamoeba histolytica protein kinase, putative 0.0035 0.0444 1
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0114 0.2128 1
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.004 0.055 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0042 0.0199
Plasmodium vivax proline--tRNA ligase, putative 0.004 0.055 0.051
Loa Loa (eye worm) hypothetical protein 0.0019 0.0106 0.0498
Trypanosoma brucei THT1 - hexose transporter, putative 0.0035 0.0454 0.8107
Plasmodium falciparum calcium-dependent protein kinase 2 0.0035 0.0445 0.0404
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.004 0.055 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0042 0.0199
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0106 0.0305
Schistosoma mansoni hypothetical protein 0.0019 0.0106 0.0305
Loa Loa (eye worm) sugar transporter 0.0114 0.2128 1
Brugia malayi lysyl-tRNA synthetase 0.0025 0.0243 0.0961
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0034 0.0429 0.1855
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0035 0.0444 0.1927
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0022 0.0161 1
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0034 0.0429 0.1855
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0025 0.0243 0.3046
Loa Loa (eye worm) major facilitator superfamily transporter 0.0016 0.0042 0.0199
Plasmodium falciparum proline--tRNA ligase 0.004 0.055 0.051
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.004 0.055 1
Echinococcus granulosus GPCR family 2 0.0019 0.0106 0.0305
Plasmodium falciparum lysine--tRNA ligase 0.0025 0.0243 0.0201
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0185 0.3622 0.5495
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0114 0.2128 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0703 0.3305
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0114 0.2128 1
Plasmodium falciparum calcium-dependent protein kinase 3 0.0035 0.0445 0.0404
Toxoplasma gondii lysine-tRNA ligase 0.0025 0.0243 0.0308
Trypanosoma cruzi hexose transporter, putative 0.0019 0.0113 0.1383
Trichomonas vaginalis sugar transporter, putative 0.0035 0.0454 0.1973
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0035 0.0445 0.0617
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0411 0.1766
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0035 0.0445 0.0404
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0035 0.0444 0.1927
Loa Loa (eye worm) hypothetical protein 0.0016 0.0042 0.0199
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0106 0.0498
Plasmodium falciparum hexose transporter 0.0114 0.2128 0.2094
Plasmodium falciparum mitogen-activated protein kinase 2 0.0185 0.3622 0.3595
Trichomonas vaginalis conserved hypothetical protein 0.0114 0.2128 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.098 0.4607
Loa Loa (eye worm) hypothetical protein 0.0041 0.0576 0.2705
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0035 0.0444 0.1927
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0022 0.0161 1
Schistosoma mansoni hypothetical protein 0.0041 0.0576 0.2557
Plasmodium vivax calcium-dependent protein kinase, putative 0.0035 0.0445 0.0404
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0106 0.0305
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0035 0.0444 0.1927
Brugia malayi Sugar transporter family protein 0.0114 0.2128 1
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0454 0.1973
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0022 0.0176 0.0641
Trypanosoma cruzi hexose transporter 0.0035 0.0454 0.8107
Plasmodium falciparum calcium-dependent protein kinase 4 0.0035 0.0445 0.0404
Schistosoma mansoni chromobox protein 0.0084 0.1489 0.6936
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0025 0.0243 1
Schistosoma mansoni chromobox protein 0.0084 0.1489 0.6936
Loa Loa (eye worm) hypothetical protein 0.0016 0.0042 0.0199
Schistosoma mansoni protein kinase 0.0035 0.0444 0.1927
Trichomonas vaginalis sugar transporter, putative 0.0035 0.0454 0.1973
Plasmodium falciparum calcium-dependent protein kinase 1 0.0035 0.0445 0.0404
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0035 0.0444 0.1927
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0034 0.0429 0.1855
Echinococcus granulosus chromobox protein 1 0.0084 0.1489 0.6936
Schistosoma mansoni serine/threonine protein kinase 0.0035 0.0444 0.1927
Leishmania major glucose transporter/membrane transporter D2, putative 0.0035 0.0454 0.8107
Echinococcus multilocularis chromobox protein 1 0.0084 0.1489 0.6936
Onchocerca volvulus 0.0037 0.0487 0.603
Trypanosoma cruzi hexose transporter, putative 0.0035 0.0454 0.8107
Leishmania major glucose transporter, lmgt3 0.0035 0.0454 0.8107
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0034 0.0429 0.1855
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.098 0.4497
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0035 0.0444 0.2088
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.1489 0.6997
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0185 0.3622 0.3595
Trypanosoma cruzi hexose transporter, putative 0.0035 0.0454 0.8107
Plasmodium falciparum protein kinase 7 0.0323 0.6557 0.6542
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0114 0.2128 1
Brugia malayi chromobox protein homolog 3 0.0047 0.0703 0.3169
Loa Loa (eye worm) hypothetical protein 0.0016 0.0042 0.0199
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.004 0.055 1
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0703 0.3169
Plasmodium vivax lysine--tRNA ligase, putative 0.0025 0.0243 0.0201
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0106 0.0305
Echinococcus multilocularis General substrate transporter 0.0098 0.1787 0.8364
Schistosoma mansoni glucose transport protein 0.0114 0.2128 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0042 0.0199
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0779 1
Trypanosoma brucei glucose transporter, putative 0.0035 0.0454 0.8107
Schistosoma mansoni hypothetical protein 0.0114 0.2128 1
Toxoplasma gondii facilitative glucose transporter GT1 0.0114 0.2128 0.3201
Loa Loa (eye worm) hypothetical protein 0.0016 0.0042 0.0199
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.098 0.4497
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0034 0.0429 1
Leishmania major lysyl-tRNA synthetase, putative 0.0025 0.0243 0.395
Loa Loa (eye worm) hypothetical protein 0.0016 0.0042 0.0199
Echinococcus multilocularis calcium dependent protein kinase 0.0033 0.0398 0.1707
Echinococcus granulosus chromobox protein 1 0.0084 0.1489 0.6936
Loa Loa (eye worm) hypothetical protein 0.0034 0.0429 0.2017
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0025 0.0243 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0114 0.2128 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0035 0.0444 0.1927
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0114 0.2128 1
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0035 0.0445 0.0617
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0035 0.0444 0.2088
Leishmania major glucose transporter, lmgt1 0.0035 0.0454 0.8107
Schistosoma mansoni lysyl-tRNA synthetase 0.0025 0.0243 0.0961
Schistosoma mansoni glucose transport protein 0.0114 0.2128 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0106 0.0305
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0025 0.0243 0.395
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0454 0.1973
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0034 0.0429 0.9253
Loa Loa (eye worm) hypothetical protein 0.0035 0.0444 0.2088
Loa Loa (eye worm) hypothetical protein 0.0016 0.0042 0.0199
Trichomonas vaginalis CAMK family protein kinase 0.0035 0.0444 0.1927
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0025 0.0243 0.395
Loa Loa (eye worm) hypothetical protein 0.006 0.098 0.4607
Chlamydia trachomatis lysine--tRNA ligase 0.0025 0.0243 0.5
Loa Loa (eye worm) hypothetical protein 0.0025 0.0243 0.1141
Loa Loa (eye worm) major facilitator superfamily transporter 0.0016 0.0042 0.0199
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0035 0.0445 0.0404
Trypanosoma brucei glucose transporter, putative 0.0035 0.0454 0.8107
Toxoplasma gondii protein kinase, putative 0.0323 0.6557 1
Trichomonas vaginalis glucose transporter, putative 0.0035 0.0454 0.1973
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0035 0.0444 0.1927
Schistosoma mansoni glucose transport protein 0.0114 0.2128 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] 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.

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