Detailed information for compound 1576494

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 489.373 | Formula: C19H22Cl2N4O5S
  • H donors: 1 H acceptors: 5 LogP: 1.6 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)S(=O)(=O)N1CCN(CC1)C(=O)CN1C(=O)NC2(C1=O)CCCC2)Cl
  • InChi: 1S/C19H22Cl2N4O5S/c20-13-3-4-14(21)15(11-13)31(29,30)24-9-7-23(8-10-24)16(26)12-25-17(27)19(22-18(25)28)5-1-2-6-19/h3-4,11H,1-2,5-10,12H2,(H,22,28)
  • InChiKey: OQWFLRCCKYEEAZ-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
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
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 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.8936 1
Loa Loa (eye worm) hypothetical protein 0.006 1 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.1178 0.0886
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.1293 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.1178 0.1318
Onchocerca volvulus 0.0028 0.3116 0.5
Schistosoma mansoni hypothetical protein 0.0041 0.5916 0.6108
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.1293 0.1447
Loa Loa (eye worm) hypothetical protein 0.0028 0.3116 0.3116
Schistosoma mansoni lamin 0.0028 0.3116 0.2498
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.1293 0.5
Echinococcus granulosus GPCR family 2 0.0019 0.1178 0.1318
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.1178 0.1178
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.1293 0.5
Echinococcus multilocularis lamin 0.0028 0.3116 0.3486
Echinococcus granulosus lamin 0.0028 0.3116 0.3486
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.8936 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.3116 0.3116
Schistosoma mansoni ap endonuclease 0.002 0.1293 0.0149
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.1293 0.1447
Trichomonas vaginalis ap endonuclease, putative 0.002 0.1293 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.8936 1
Schistosoma mansoni lamin 0.0028 0.3116 0.2498
Echinococcus granulosus intermediate filament protein 0.0028 0.3116 0.3486
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.5916 0.5782
Schistosoma mansoni ap endonuclease 0.002 0.1293 0.0149
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.1293 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.1178 0.1178
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.1293 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.8936 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.5916 0.5916
Echinococcus multilocularis GPCR, family 2 0.0019 0.1178 0.1318
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.3116 0.2888
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.8936 0.8936
Loa Loa (eye worm) intermediate filament protein 0.0028 0.3116 0.3116
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.8936 1
Echinococcus multilocularis musashi 0.0028 0.3116 0.3486
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.1178 0.1318
Echinococcus multilocularis lamin dm0 0.0028 0.3116 0.3486
Brugia malayi Latrophilin receptor protein 2 0.0019 0.1178 0.0886
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.1293 0.5
Trichomonas vaginalis ap endonuclease, putative 0.002 0.1293 0.5
Echinococcus granulosus lamin dm0 0.0028 0.3116 0.3486
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 1 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.1293 0.5
Toxoplasma gondii exonuclease III APE 0.002 0.1293 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.1293 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.1178 0.1318
Loa Loa (eye worm) hypothetical protein 0.0028 0.3005 0.3005
Brugia malayi intermediate filament protein 0.0028 0.3116 0.2888
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.1293 0.1006
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.1178 0.1318
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.032 0.032
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.1293 0.5
Schistosoma mansoni intermediate filament proteins 0.0028 0.3116 0.2498
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.8936 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.1293 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.8936 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.8936 0.8901
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.1293 0.5
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.1293 0.1293
Onchocerca volvulus 0.0028 0.3116 0.5
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.1293 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.4147 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.8584 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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.