Detailed information for compound 1712593

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 473.928 | Formula: C23H25ClFN5O3
  • H donors: 3 H acceptors: 4 LogP: 3.48 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1O[C@H](CC[C@@H]1NC(=O)Nc1ccc(cc1)Cl)CCn1nnc(c1)c1ccccc1F
  • InChi: 1S/C23H25ClFN5O3/c24-15-5-7-16(8-6-15)26-23(32)27-20-10-9-17(33-22(20)14-31)11-12-30-13-21(28-29-30)18-3-1-2-4-19(18)25/h1-8,13,17,20,22,31H,9-12,14H2,(H2,26,27,32)/t17-,20+,22-/m1/s1
  • InChiKey: DFXHLBQSDWHRLL-PIPMEXSNSA-N  

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
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461

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
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0199
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1193 0.5343
Loa Loa (eye worm) hypothetical protein 0.003 0.0469 0.2017
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0199
Trypanosoma brucei glucose transporter 1E 0.0031 0.0493 0.8107
Echinococcus granulosus General substrate transporter 0.0086 0.1821 0.8364
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0199
Onchocerca volvulus 0.0014 0.0084 0.5
Plasmodium vivax CDK-related protein kinase 6, putative 0.0426 1 1
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.003 0.0469 0.1855
Treponema pallidum prolyl-tRNA synthetase 0.0011 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1586 0.7233
Trichomonas vaginalis conserved hypothetical protein 0.01 0.216 1
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0014 0.0084 0.2954
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0031 0.0484 0.2088
Trypanosoma brucei glucose transporter, putative 0.0031 0.0493 0.8107
Giardia lamblia Prolyl-tRNA synthetase 0.003 0.0469 1
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.003 0.0469 0.1855
Schistosoma mansoni protein kinase 0.0031 0.0484 0.1927
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.003 0.0469 0.1855
Schistosoma mansoni hypothetical protein 0.01 0.216 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1586 0.7233
Plasmodium falciparum lysine--tRNA ligase 0.0022 0.0283 0.0201
Onchocerca volvulus 0.0014 0.0084 0.5
Trypanosoma brucei glucose transporter, putative 0.0031 0.0493 0.8107
Plasmodium falciparum mitogen-activated protein kinase 2 0.0162 0.3649 0.3595
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0199
Onchocerca volvulus 0.0014 0.0084 0.5
Echinococcus granulosus GPCR family 2 0.0019 0.0203 0.0572
Loa Loa (eye worm) hypothetical protein 0.0024 0.0333 0.1375
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0019 0.0202 1
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0035 0.0589 1
Leishmania major lysyl-tRNA synthetase, putative 0.0022 0.0283 0.395
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0203 0.0572
Schistosoma mansoni glucose transport protein 0.01 0.216 1
Entamoeba histolytica protein kinase, putative 0.0031 0.0484 1
Onchocerca volvulus Putative transporter 0.0014 0.0084 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.0203 0.0572
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0203 0.076
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0031 0.0484 0.1927
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.01 0.216 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1193 0.5436
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0031 0.0484 0.7919
Entamoeba histolytica protein kinase, putative 0.0031 0.0484 1
Schistosoma mansoni serine/threonine protein kinase 0.0031 0.0484 0.1927
Plasmodium falciparum proline--tRNA ligase 0.0035 0.0589 0.051
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0031 0.0484 0.1927
Loa Loa (eye worm) major facilitator superfamily transporter 0.0014 0.0084 0.0199
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0035 0.0589 1
Schistosoma mansoni hypothetical protein 0.0019 0.0203 0.0572
Plasmodium falciparum calcium-dependent protein kinase 1 0.0031 0.0484 0.0404
Onchocerca volvulus 0.0014 0.0084 0.5
Plasmodium vivax lysine--tRNA ligase, putative 0.0022 0.0283 0.0201
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0031 0.0484 0.0617
Plasmodium falciparum calcium-dependent protein kinase 5 0.0031 0.0484 0.0404
Schistosoma mansoni protein kinase 0.0031 0.0484 0.1927
Leishmania major glucose transporter, lmgt2 0.0031 0.0493 0.8107
Onchocerca volvulus 0.0014 0.0084 0.5
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0031 0.0484 0.0617
Trypanosoma brucei THT1 - hexose transporter, putative 0.0031 0.0493 0.8107
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0022 0.0283 1
Brugia malayi RNA binding protein 0.0076 0.1586 0.7233
Loa Loa (eye worm) hypothetical protein 0.003 0.0469 0.2017
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0022 0.0283 0.3046
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0031 0.0484 0.0617
Loa Loa (eye worm) major facilitator superfamily transporter 0.0014 0.0084 0.0199
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.1586 0.7233
Loa Loa (eye worm) hypothetical protein 0.0022 0.0283 0.1141
Trypanosoma cruzi hexose transporter, putative 0.0031 0.0493 0.8107
Onchocerca volvulus 0.0014 0.0084 0.5
Mycobacterium ulcerans sugar transporter 0.0014 0.0084 0.2954
Plasmodium falciparum calcium-dependent protein kinase 2 0.0031 0.0484 0.0404
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0203 0.0572
Toxoplasma gondii lysine-tRNA ligase 0.0022 0.0283 0.0308
Trypanosoma brucei glucose transporter 2A 0.0031 0.0493 0.8107
Loa Loa (eye worm) hypothetical protein 0.0041 0.0735 0.3272
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0199
Onchocerca volvulus 0.0014 0.0084 0.5
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0031 0.0484 0.0404
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0014 0.0084 0.5
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0014 0.0084 0.2954
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0022 0.0283 0.395
Trypanosoma brucei glucose transporter, putative 0.0031 0.0493 0.8107
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0199
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0035 0.0589 1
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0035 0.0589 0.0779
Onchocerca volvulus 0.0014 0.0084 0.5
Plasmodium vivax calcium-dependent protein kinase, putative 0.0031 0.0484 0.0404
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0199
Onchocerca volvulus 0.0014 0.0084 0.5
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0031 0.0484 0.0404
Schistosoma mansoni lysyl-tRNA synthetase 0.0022 0.0283 0.0961
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0493 0.1973
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.002 0.0217 0.0641
Mycobacterium ulcerans integral membrane transport protein 0.0014 0.0084 0.2954
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0199
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.003 0.0469 0.1855
Plasmodium falciparum calcium-dependent protein kinase 4 0.0031 0.0484 0.0404
Plasmodium falciparum hexose transporter 0.01 0.216 0.2094
Plasmodium falciparum calcium-dependent protein kinase 3 0.0031 0.0484 0.0404
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0031 0.0484 0.1927
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0031 0.0484 0.1927
Echinococcus multilocularis GPCR, family 2 0.0019 0.0203 0.0572
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0199
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.01 0.216 1
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0022 0.0283 0.0961
Schistosoma mansoni protein kinase 0.0031 0.0484 0.1927
Brugia malayi Sugar transporter family protein 0.01 0.216 1
Trypanosoma brucei glucose transporter, putative 0.0031 0.0493 0.8107
Schistosoma mansoni hypothetical protein 0.0019 0.0203 0.0572
Onchocerca volvulus 0.0014 0.0084 0.5
Echinococcus granulosus calcium dependent protein kinase 0.0029 0.0438 0.1707
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.003 0.0469 0.9253
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0199
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0022 0.0283 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1586 0.7233
Echinococcus multilocularis General substrate transporter 0.0086 0.1821 0.8364
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0019 0.0202 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0203 0.0572
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0199
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.1586 0.7288
Trypanosoma cruzi hexose transporter, putative 0.0031 0.0493 0.8107
Onchocerca volvulus 0.0014 0.0084 0.5
Schistosoma mansoni glucose transport protein 0.01 0.216 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1193 0.5343
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.01 0.216 1
Plasmodium vivax hexose transporter 0.01 0.216 0.2094
Leishmania major glucose transporter/membrane transporter D2, putative 0.0031 0.0493 0.8107
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0199
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0031 0.0484 0.1927
Loa Loa (eye worm) sugar transporter 0.0014 0.0084 0.0199
Brugia malayi TAR-binding protein 0.0076 0.1586 0.7233
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0162 0.3649 0.5495
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0199
Trypanosoma brucei THT1 - hexose transporter, putative 0.0031 0.0493 0.8107
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0735 0.3135
Toxoplasma gondii protein kinase, putative 0.0284 0.6571 1
Toxoplasma gondii facilitative glucose transporter GT1 0.01 0.216 0.3201
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0035 0.0589 1
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0031 0.0484 0.2088
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0493 0.1973
Schistosoma mansoni glucose transport protein 0.01 0.216 1
Plasmodium falciparum protein kinase 7 0.0284 0.6571 0.6542
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0493 0.1973
Loa Loa (eye worm) hypothetical protein 0.0019 0.0203 0.076
Echinococcus multilocularis tar DNA binding protein 0.0076 0.1586 0.7233
Trichomonas vaginalis glucose transporter, putative 0.0031 0.0493 0.1973
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.003 0.0469 0.1855
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0199
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0203 0.0572
Chlamydia trachomatis lysine--tRNA ligase 0.0022 0.0283 1
Onchocerca volvulus 0.0014 0.0084 0.5
Schistosoma mansoni lysyl-tRNA synthetase 0.0022 0.0283 0.0961
Loa Loa (eye worm) sugar transporter 0.01 0.216 1
Giardia lamblia Lysyl-tRNA synthetase 0.0022 0.0283 0.5182
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0199
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0493 0.1973
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0493 0.1973
Trypanosoma cruzi hexose transporter 0.0031 0.0493 0.8107
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0031 0.0484 0.1927
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0203 0.0572
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.01 0.216 1
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0162 0.3649 0.3595
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.01 0.216 1
Schistosoma mansoni hypothetical protein 0.0019 0.0203 0.0572
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0035 0.0589 1
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.003 0.0469 0.1855
Plasmodium vivax proline--tRNA ligase, putative 0.0035 0.0589 0.051
Trichomonas vaginalis CAMK family protein kinase 0.0031 0.0484 0.1927
Loa Loa (eye worm) hypothetical protein 0.006 0.1193 0.5436
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.003 0.0469 1
Trypanosoma brucei glucose transporter, putative 0.0031 0.0493 0.8107
Echinococcus granulosus lysyl tRNA synthetase 0.0022 0.0283 0.0961
Onchocerca volvulus 0.0014 0.0084 0.5
Onchocerca volvulus 0.0014 0.0084 0.5
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0031 0.0484 0.1927
Onchocerca volvulus 0.0014 0.0084 0.5
Trichomonas vaginalis glucose transporter, putative 0.0031 0.0493 0.1973
Leishmania major glucose transporter, lmgt1 0.0031 0.0493 0.8107
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.01 0.216 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.01 0.216 1
Schistosoma mansoni hypothetical protein 0.0041 0.0735 0.3135
Brugia malayi lysyl-tRNA synthetase 0.0022 0.0283 0.0961
Leishmania major glucose transporter, lmgt3 0.0031 0.0493 0.8107
Loa Loa (eye worm) TAR-binding protein 0.0076 0.1586 0.7288
Trypanosoma brucei glucose transporter, putative 0.0031 0.0493 0.8107
Trypanosoma brucei glucose transporter, putative 0.0031 0.0493 0.8107
Echinococcus multilocularis lysyl tRNA synthetase 0.0022 0.0283 0.0961
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1586 0.7233
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0031 0.0484 0.1927
Trypanosoma brucei glucose transporter, putative 0.0031 0.0493 0.8107
Echinococcus multilocularis calcium dependent protein kinase 0.0029 0.0438 0.1707
Loa Loa (eye worm) RNA binding protein 0.0076 0.1586 0.7288
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.003 0.0469 0.1855
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0031 0.0484 0.0404
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0031 0.0484 0.1927
Brugia malayi Cam kinase protein 1 0.0031 0.0484 0.1927
Echinococcus granulosus tar DNA binding protein 0.0076 0.1586 0.7233
Trypanosoma brucei THT1 - hexose transporter, putative 0.0031 0.0493 0.8107
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1586 0.7233
Onchocerca volvulus 0.0014 0.0084 0.5
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0022 0.0283 0.395
Loa Loa (eye worm) hypothetical protein 0.0031 0.0484 0.2088
Trypanosoma cruzi hexose transporter, putative 0.0017 0.0154 0.1383
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.01 0.216 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0203 0.0572
Leishmania major protein kinase, putative 0.0031 0.0484 0.7919
Trypanosoma cruzi hexose transporter, putative 0.0031 0.0493 0.8107

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3162 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) 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.