Detailed information for compound 1728981

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 512.365 | Formula: C19H12Cl2FN5O3S2
  • H donors: 2 H acceptors: 5 LogP: 4.71 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: Clc1ccc(c(c1)c1cccnc1N)Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ncns1
  • InChi: 1S/C19H12Cl2FN5O3S2/c20-10-3-4-15(12(6-10)11-2-1-5-24-18(11)23)30-16-8-14(22)17(7-13(16)21)32(28,29)27-19-25-9-26-31-19/h1-9H,(H2,23,24)(H,25,26,27)
  • InChiKey: HROGRDVSUSJOSC-UHFFFAOYSA-N  


Substructure search Similarity search

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 sodium channel, voltage-gated, type IX, alpha subunit Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana calcium channel protein, putative,ion transporter, putative Get druggable targets OG5_126819 All targets in OG5_126819
Leishmania donovani calcium channel protein, putative Get druggable targets OG5_126819 All targets in OG5_126819
Leishmania major calcium channel protein, putative,ion transporter, putative Get druggable targets OG5_126819 All targets in OG5_126819
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit Get druggable targets OG5_126819 All targets in OG5_126819
Echinococcus granulosus sodium channel protein Get druggable targets OG5_126819 All targets in OG5_126819
Leishmania braziliensis calcium channel protein, putative,ion transporter, putative Get druggable targets OG5_126819 All targets in OG5_126819
Leishmania infantum calcium channel protein, putative,ion transporter, putative Get druggable targets OG5_126819 All targets in OG5_126819
Echinococcus multilocularis sodium channel protein Get druggable targets OG5_126819 All targets in OG5_126819
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0018 0.0018
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0018 0.0092
Loa Loa (eye worm) hypothetical protein 0.0009 0.0012 0.0012
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0018 0.0092
Loa Loa (eye worm) hypothetical protein 0.0045 0.0219 0.0219
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0018 0.0092
Loa Loa (eye worm) hypothetical protein 0.001 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0072 0.0374 0.0374
Echinococcus multilocularis sodium channel protein 0.0045 0.0222 0.1104
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.1205 0.6905 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0018 0.0018
Brugia malayi steroid hormone receptor 0.001 0.0018 0.0018
Brugia malayi Cache domain containing protein 0.0072 0.0374 0.0374
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0018 0.0092
Brugia malayi ecdysteroid receptor 0.001 0.0018 0.0018
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0012 0.0057
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0221 0.1101
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0018 0.0018
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0018 0.0092
Brugia malayi calpain family protein 1 0.0064 0.0328 0.0328
Echinococcus granulosus FTZ F1 alpha 0.001 0.0018 0.0092
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0018 0.0018
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0009 0.0012 0.0012
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0018 0.0092
Plasmodium vivax calpain, putative 0.0019 0.007 0.5
Schistosoma mansoni calpain-7 (C02 family) 0.0019 0.007 0.0819
Echinococcus granulosus calpain A 0.0019 0.007 0.0349
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0018 0.0092
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0018 0.0018
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0018 0.0018
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0012 0.0057
Loa Loa (eye worm) hypothetical protein 0.001 0.0018 0.0018
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0064 0.0328 0.3833
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0012 0.0057
Echinococcus multilocularis GPCR, family 2 0.0016 0.0051 0.0252
Echinococcus multilocularis hypothetical protein 0.0019 0.007 0.0349
Schistosoma mansoni dep domain containing protein 0.0009 0.0012 0.0135
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0245 0.0245
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0018 0.0018
Schistosoma mansoni z-protein (S1r protein) 0.0009 0.0012 0.0135
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0009 0.0012 0.0135
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0012 0.0012
Toxoplasma gondii hypothetical protein 0.0009 0.0012 0.5
Schistosoma mansoni hypothetical protein 0.0084 0.0442 0.5174
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0012 0.0057
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0221 0.2589
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0012 0.0057
Schistosoma mansoni calpain C (C02 family) 0.0019 0.007 0.0819
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0018 0.0018
Schistosoma mansoni regulator of G protein signaling 0.0009 0.0012 0.0135
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0537 0.3056 0.3056
Schistosoma mansoni dishevelled 0.0009 0.0012 0.0135
Schistosoma mansoni coup transcription factor 0.001 0.0018 0.0216
Schistosoma mansoni calpain-7 (C02 family) 0.0019 0.007 0.0819
Schistosoma mansoni hypothetical protein 0.0034 0.0155 0.1812
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0018 0.0018
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0018 0.0092
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0051 0.0252
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0245 0.0245
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0018 0.0018
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0018 0.0216
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0221 0.2589
Loa Loa (eye worm) hypothetical protein 0.0178 0.0989 0.0989
Trypanosoma cruzi hypothetical protein, conserved 0.0537 0.3056 1
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0078 0.0412 0.4814
Loa Loa (eye worm) hypothetical protein 0.0049 0.0245 0.0245
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0018 0.0092
Loa Loa (eye worm) hypothetical protein 0.0064 0.0328 0.0328
Schistosoma mansoni thyroid hormone receptor 0.001 0.0018 0.0216
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0018 0.0216
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0018 0.0092
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0018 0.0216
Echinococcus granulosus calpain 0.0019 0.007 0.0349
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0018 0.0216
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0051 0.0252
Loa Loa (eye worm) hypothetical protein 0.0016 0.0051 0.0051
Loa Loa (eye worm) calpain 0.0019 0.007 0.007
Brugia malayi regulator of G-protein signaling egl-10 0.0009 0.0012 0.0012
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.001 0.0018 0.0018
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0018 0.0018
Brugia malayi calpain family protein 1 0.0064 0.0328 0.0328
Schistosoma mansoni nuclear hormone receptor 0.001 0.0018 0.0216
Echinococcus granulosus Pleckstrin G protein interacting region 0.0009 0.0012 0.0057
Echinococcus multilocularis calpain 0.0019 0.007 0.0349
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0018 0.0092
Loa Loa (eye worm) hypothetical protein 0.001 0.0018 0.0018
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0178 0.0989 0.0979
Loa Loa (eye worm) hypothetical protein 0.0064 0.0328 0.0328
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0018 0.0018
Echinococcus granulosus calpain A 0.0067 0.0347 0.1723
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0067 0.0347 0.4052
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0018 0.0018
Schistosoma mansoni hypothetical protein 0.0016 0.0051 0.0593
Trypanosoma cruzi hypothetical protein, conserved 0.0537 0.3056 1
Schistosoma mansoni Mername-AA248 (C02 family) 0.0019 0.007 0.0819
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0045 0.0222 0.0509
Echinococcus multilocularis calpain family protein 1, d 0.0045 0.0219 0.1087
Brugia malayi nuclear hormone receptor 0.001 0.0018 0.0018
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0162 0.0893 0.4442
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0012 0.0057
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0018 0.0092
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0245 0.0245
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0018 0.0216
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0221 0.1101
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0018 0.0216
Echinococcus granulosus GPCR family 2 0.0016 0.0051 0.0252
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0045 0.0222 0.1104
Loa Loa (eye worm) hypothetical protein 0.0009 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.0034 0.0155 0.0155
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0018 0.0092
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0051 0.0252
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0018 0.0007
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0018 0.0018
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0018 0.0216
Loa Loa (eye worm) hypothetical protein 0.001 0.0018 0.0018
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0051 0.0051
Loa Loa (eye worm) DIX domain-containing protein 0.0009 0.0012 0.0012
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.001 0.0018 0.0018
Brugia malayi calpain 5 0.0019 0.007 0.007
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0009 0.0012 0.0057
Schistosoma mansoni hypothetical protein 0.0016 0.0051 0.0593
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0018 0.0018
Schistosoma mansoni dishevelled 0.0009 0.0012 0.0135
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0221 0.2589
Echinococcus granulosus voltage dependent calcium channel subunit 0.0356 0.2011 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0018 0.0007
Loa Loa (eye worm) calpain family protein 1 0.0064 0.0328 0.0328
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0018 0.0092
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0018 0.0018
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0018 0.0018
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0018 0.0216
Brugia malayi hypothetical protein 0.0009 0.0012 0.0012
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0018 0.0018
Echinococcus granulosus calpain 7 C02 family 0.0019 0.007 0.0349
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0221 0.0221
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0051 0.0051
Schistosoma mansoni hypothetical protein 0.0016 0.0051 0.0593
Loa Loa (eye worm) hypothetical protein 0.001 0.0018 0.0018
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0221 0.1101
Echinococcus multilocularis calpain 5 0.0019 0.007 0.0349
Onchocerca volvulus 0.0045 0.0219 0.0207
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0537 0.3056 0.3056
Brugia malayi N-terminal motif family protein 0.0178 0.0989 0.0989
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0051 0.0051
Schistosoma mansoni thyroid hormone receptor 0.001 0.0018 0.0216
Echinococcus granulosus voltage dependent calcium channel subunit 0.0162 0.0893 0.4442
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0018 0.0092
Onchocerca volvulus 0.001 0.0018 0.0007
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0051 0.0252
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0067 0.0347 0.4052
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0018 0.0018
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0012 0.0057
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0356 0.2011 1
Brugia malayi calpain 7 0.0019 0.007 0.007
Echinococcus granulosus calpain 5 0.0019 0.007 0.0349
Loa Loa (eye worm) calpain family protein 1 0.0045 0.0219 0.0219
Schistosoma mansoni calpain (C02 family) 0.0019 0.007 0.0819
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0067 0.0347 0.1723
Echinococcus multilocularis calpain A 0.0067 0.0347 0.1723
Brugia malayi DIX domain containing protein 0.0009 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.001 0.0018 0.0018
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0221 0.1101
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0221 0.0221
Brugia malayi nuclear receptor NHR-88 0.001 0.0018 0.0018
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0155 0.0855 1
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0018 0.0007
Brugia malayi hypothetical protein 0.0009 0.0012 0.0012
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0018 0.0018
Echinococcus multilocularis calpain 7 (C02 family) 0.0019 0.007 0.0349
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0018 0.0092
Echinococcus granulosus sodium channel protein 0.0045 0.0222 0.1104
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0018 0.0216
Loa Loa (eye worm) hypothetical protein 0.0009 0.0012 0.0012
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0018 0.0018
Schistosoma mansoni hypothetical protein 0.0016 0.0051 0.0593
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0012 0.0012
Schistosoma mansoni serine-rich repeat protein 0.0084 0.0442 0.5174
Leishmania major hypothetical protein, conserved 0.0537 0.3056 1
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0067 0.0347 0.1723
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0155 0.0155
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0018 0.0092
Loa Loa (eye worm) hypothetical protein 0.0045 0.0219 0.0219
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0018 0.0018
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0012 0.0057
Loa Loa (eye worm) calpain 5 0.0019 0.007 0.007
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0537 0.3056 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 7.9586 Inhibition of NaV1.7 ion channel (unknown origin) ChEMBL. 23177785

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.

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