Detailed information for compound 1727745

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 410.531 | Formula: C26H22N2OS
  • H donors: 0 H acceptors: 1 LogP: 6.2 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(s1)C1N(c2ccccc2c2ccccc2)C(=O)c2c(N1C)cccc2
  • InChi: 1S/C26H22N2OS/c1-18-16-17-24(30-18)25-27(2)22-14-8-7-13-21(22)26(29)28(25)23-15-9-6-12-20(23)19-10-4-3-5-11-19/h3-17,25H,1-2H3
  • InChiKey: WJBBMUMVOLXNQG-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Schistosoma mansoni hypothetical protein 0.0033 0.3997 0.3861
Trichomonas vaginalis AGC family protein kinase 0.002 0.1479 0.3144
Leishmania major DNA polymerase eta, putative 0.0031 0.3518 0.4775
Loa Loa (eye worm) hypothetical protein 0.0015 0.0465 0.0257
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1161 0.1904
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.1161 1
Trypanosoma brucei unspecified product 0.0019 0.1161 0.1904
Trichomonas vaginalis AGC family protein kinase 0.002 0.1479 0.3144
Trichomonas vaginalis AGC family protein kinase 0.002 0.1479 0.3144
Trypanosoma cruzi DNA polymerase eta, putative 0.0044 0.6098 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.6286 0.6201
Loa Loa (eye worm) hypothetical protein 0.0033 0.3997 0.4006
Echinococcus granulosus dna polymerase kappa 0.0019 0.1161 0.096
Trichomonas vaginalis AGC family protein kinase 0.002 0.1479 0.3144
Trypanosoma brucei DNA polymerase eta, putative 0.0044 0.6098 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.1161 0.096
Trichomonas vaginalis AGC family protein kinase 0.002 0.1479 0.3144
Schistosoma mansoni tar DNA-binding protein 0.0061 0.9646 0.9638
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0465 0.0257
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1161 0.1904
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.1161 0.5
Trichomonas vaginalis AGC family protein kinase 0.002 0.1479 0.3144
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1161 0.1904
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1161 0.1904
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.1161 0.1904
Loa Loa (eye worm) TAR-binding protein 0.0061 0.9646 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.6286 0.6435
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.6286 0.6201
Trichomonas vaginalis AGC family protein kinase 0.002 0.1479 0.3144
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1161 0.1904
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.1161 0.5
Trichomonas vaginalis AGC family protein kinase 0.002 0.1479 0.3144
Trypanosoma brucei rac serine-threonine kinase, putative 0.0014 0.0222 0.0364
Trichomonas vaginalis AGC family protein kinase 0.002 0.1479 0.3144
Trichomonas vaginalis AGC family protein kinase 0.002 0.1479 0.3144
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0465 0.0248
Trichomonas vaginalis 3-phosphoinositide dependent protein kinase-1, putative 0.002 0.1479 0.3144
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0034 0.416 0.9849
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.6286 0.6435
Trichomonas vaginalis AGC family protein kinase 0.002 0.1479 0.3144
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.9646 1
Trichomonas vaginalis AGC family protein kinase 0.002 0.1479 0.3144
Trichomonas vaginalis AGC family protein kinase 0.002 0.1479 0.3144
Brugia malayi TAR-binding protein 0.0061 0.9646 1
Trichomonas vaginalis AGC family protein kinase 0.002 0.1479 0.3144
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0465 0.0248
Trichomonas vaginalis AGC family protein kinase 0.002 0.1479 0.3144
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.1161 0.1904
Echinococcus multilocularis GPCR, family 2 0.0015 0.0465 0.0248
Schistosoma mansoni tar DNA-binding protein 0.0061 0.9646 0.9638
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.6286 0.6201
Trichomonas vaginalis AGC family protein kinase 0.002 0.1479 0.3144
Leishmania major DNA polymerase eta, putative 0.0044 0.6098 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.7041 0.7236
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.6286 0.6201
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0465 0.0248
Trichomonas vaginalis AGC family protein kinase 0.002 0.1479 0.3144
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.6286 0.6201
Trichomonas vaginalis AGC family protein kinase 0.002 0.1479 0.3144
Trichomonas vaginalis ribosomal protein S6 kinase, 90kD, polypeptide, putative 0.002 0.1479 0.3144
Schistosoma mansoni tar DNA-binding protein 0.0061 0.9646 0.9638
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.1161 0.2347
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.1161 0.0996
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.1161 0.096
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1161 0.1904
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0465 0.0257
Echinococcus granulosus GPCR family 2 0.0015 0.0465 0.0248
Trichomonas vaginalis AGC family protein kinase 0.002 0.1479 0.3144
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1161 0.1904
Trichomonas vaginalis AGC family protein kinase 0.002 0.1479 0.3144
Loa Loa (eye worm) hypothetical protein 0.0048 0.7041 0.7236
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.7041 0.7236
Schistosoma mansoni hypothetical protein 0.0015 0.0465 0.0248
Echinococcus multilocularis tar DNA binding protein 0.0061 0.9646 0.9638
Trichomonas vaginalis AGC family protein kinase 0.0034 0.4221 1
Schistosoma mansoni hypothetical protein 0.0015 0.0465 0.0248
Loa Loa (eye worm) RNA binding protein 0.0061 0.9646 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.6098 0.6235
Trichomonas vaginalis AGC family protein kinase 0.002 0.1479 0.3144
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.1161 0.096
Giardia lamblia DINP protein human, muc B family 0.0019 0.1161 0.5
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.1161 0.2347
Schistosoma mansoni tar DNA-binding protein 0.0061 0.9646 0.9638
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.6286 0.6201
Schistosoma mansoni DNA polymerase eta 0.0044 0.6098 0.6009
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.1161 0.0996
Brugia malayi Protein kinase domain containing protein 0.0034 0.4221 0.4243
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1161 0.1904
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.6286 0.6201
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1161 0.1904
Echinococcus granulosus dna polymerase eta 0.0044 0.6098 0.6009
Trichomonas vaginalis AGC family protein kinase 0.002 0.1479 0.3144
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.7041 0.7236
Trichomonas vaginalis AGC family protein kinase 0.002 0.1479 0.3144
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0465 0.0257
Trichomonas vaginalis AGC family protein kinase 0.002 0.1479 0.3144
Echinococcus multilocularis dna polymerase eta 0.0044 0.6098 0.6009
Trichomonas vaginalis AGC family protein kinase 0.002 0.1479 0.3144
Trichomonas vaginalis AGC family protein kinase 0.002 0.1479 0.3144
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.1161 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1161 0.1904
Trichomonas vaginalis serine/threonine-protein kinase, putative 0.002 0.1479 0.3144
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.1161 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.3997 0.4006
Trichomonas vaginalis AGC family protein kinase 0.002 0.1479 0.3144
Trichomonas vaginalis AGC family protein kinase 0.002 0.1479 0.3144
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0034 0.4221 0.4243
Trichomonas vaginalis AGC family protein kinase 0.002 0.1479 0.3144
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.9646 1
Schistosoma mansoni hypothetical protein 0.0015 0.0465 0.0248
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.1161 0.1904
Trichomonas vaginalis AGC family protein kinase 0.002 0.1479 0.3144
Trichomonas vaginalis AGC family protein kinase 0.002 0.1479 0.3144
Trichomonas vaginalis serine/threonine-protein kinase ypk, putative 0.002 0.1479 0.3144
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0031 0.3518 0.3371
Echinococcus multilocularis dna polymerase kappa 0.0019 0.1161 0.096
Schistosoma mansoni tar DNA-binding protein 0.0061 0.9646 0.9638
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0465 0.0248
Trichomonas vaginalis AGC family protein kinase 0.002 0.1479 0.3144
Echinococcus granulosus tar DNA binding protein 0.0061 0.9646 0.9638
Trichomonas vaginalis AGC family protein kinase 0.002 0.1479 0.3144
Brugia malayi ImpB/MucB/SamB family protein 0.0044 0.6098 0.6235
Trichomonas vaginalis AGC family protein kinase 0.002 0.1479 0.3144
Brugia malayi RNA binding protein 0.0061 0.9646 1
Schistosoma mansoni hypothetical protein 0.0015 0.0465 0.0248
Trichomonas vaginalis AGC family protein kinase 0.0034 0.4221 1
Trichomonas vaginalis AGC family protein kinase 0.002 0.1479 0.3144
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.1161 0.096
Trichomonas vaginalis AGC family protein kinase 0.002 0.1479 0.3144
Trypanosoma cruzi DNA polymerase eta, putative 0.0031 0.3518 0.4775
Trichomonas vaginalis cAMP-dependent protein kinase catalytic subunit, putative 0.002 0.1479 0.3144
Trichomonas vaginalis AGC family protein kinase 0.0034 0.4221 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 99 % Cytoprotective activity against shiga toxin-induced cytotoxicity in human HeLa cells at 30 uM incubated for 4 hrs prior to shiga toxin addition measured after 20 hrs by liquid scintillation counting analysis relative to Retro-2 ChEMBL. 23517565

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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