Detailed information for compound 934988

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 321.436 | Formula: C20H19NOS
  • H donors: 0 H acceptors: 1 LogP: 5.34 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)c1ccc(s1)C(=O)N(c1ccccc1C)C
  • InChi: 1S/C20H19NOS/c1-14-8-10-16(11-9-14)18-12-13-19(23-18)20(22)21(3)17-7-5-4-6-15(17)2/h4-13H,1-3H3
  • InChiKey: QZFJAFSVUBQGKF-UHFFFAOYSA-N  

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 hydroxysteroid (17-beta) dehydrogenase 1 Starlite/ChEMBL References
Homo sapiens hydroxysteroid (17-beta) dehydrogenase 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein hydroxysteroid (17-beta) dehydrogenase 1 328 aa 265 aa 27.2 %
Echinococcus multilocularis Dehydrogenase:reductase SDR family hydroxysteroid (17-beta) dehydrogenase 2 387 aa 359 aa 24.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni cercarial elastase (S01 family) 0.0186 0.2507 0.1875
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0096 0.0893 0.0124
Schistosoma mansoni blooms syndrome DNA helicase 0.0171 0.2228 0.1572
Brugia malayi Fibulin-1 precursor 0.0553 0.9024 0.9002
Echinococcus granulosus protein jagged 2 0.0211 0.2942 0.2347
Loa Loa (eye worm) hypothetical protein 0.0211 0.2942 0.2787
Echinococcus multilocularis neurogenic locus protein delta 0.0211 0.2942 0.2347
Schistosoma mansoni hypothetical protein 0.0211 0.2942 0.2347
Loa Loa (eye worm) hypothetical protein 0.0089 0.0779 0.0576
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0553 0.9024 0.9002
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0096 0.0893 0.0692
Schistosoma mansoni egf-like domain protein 0.0553 0.9024 0.8941
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0211 0.2942 0.2347
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0096 0.0893 0.0124
Schistosoma mansoni cercarial elastase (S01 family) 0.0186 0.2507 0.1875
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0211 0.2942 0.2787
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0186 0.2507 0.1875
Loa Loa (eye worm) Notch2 0.0211 0.2942 0.2787
Schistosoma mansoni hypothetical protein 0.0186 0.2507 0.1875
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0553 0.9024 0.9002
Trichomonas vaginalis DNA helicase recq1, putative 0.0216 0.3037 1
Loa Loa (eye worm) hypothetical protein 0.0211 0.2942 0.2787
Echinococcus multilocularis neural cadherin 0.0211 0.2942 0.2347
Brugia malayi EGF-like domain containing protein 0.0211 0.2942 0.2787
Echinococcus granulosus neurogenic locus notch protein 0.0211 0.2942 0.2347
Loa Loa (eye worm) hypothetical protein 0.0211 0.2942 0.2787
Loa Loa (eye worm) hypothetical protein 0.0186 0.2507 0.2342
Schistosoma mansoni hypothetical protein 0.0211 0.2942 0.2347
Schistosoma mansoni notch 0.0211 0.2942 0.2347
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0186 0.2507 0.2342
Echinococcus granulosus tissue type plasminogen activator 0.0608 1 1
Toxoplasma gondii kringle domain-containing protein 0.0608 1 1
Brugia malayi Trypsin family protein 0.0186 0.2507 0.2342
Loa Loa (eye worm) RecQ helicase 0.0216 0.3037 0.2884
Echinococcus granulosus transmembrane protease serine 3 0.0186 0.2507 0.1875
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0186 0.2507 0.1875
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0186 0.2507 0.1875
Loa Loa (eye worm) hypothetical protein 0.0211 0.2942 0.2787
Schistosoma mansoni hypothetical protein 0.0211 0.2942 0.2347
Toxoplasma gondii calcium binding egf domain-containing protein 0.0553 0.9024 0.9024
Loa Loa (eye worm) hypothetical protein 0.0553 0.9024 0.9002
Schistosoma mansoni hypothetical protein 0.0096 0.0893 0.0124
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0186 0.2507 0.1875
Loa Loa (eye worm) hypothetical protein 0.0211 0.2942 0.2787
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0116 0.1246 0.5
Schistosoma mansoni hypothetical protein 0.0211 0.2942 0.2347
Loa Loa (eye worm) hypothetical protein 0.0553 0.9024 0.9002
Toxoplasma gondii calcium binding egf domain-containing protein 0.0553 0.9024 0.9024
Giardia lamblia High cysteine protein 0.0211 0.2942 1
Loa Loa (eye worm) hypothetical protein 0.0211 0.2942 0.2787
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0089 0.0779 0.0779
Echinococcus granulosus Mastin 0.0186 0.2507 0.1875
Echinococcus granulosus protein jagged 1 0.0211 0.2942 0.2347
Loa Loa (eye worm) hypothetical protein 0.0211 0.2942 0.2787
Brugia malayi Trypsin-like protease protein 5 0.0186 0.2507 0.2342
Echinococcus multilocularis bloom syndrome protein 0.0216 0.3037 0.2449
Brugia malayi MH2 domain containing protein 0.0138 0.1645 0.1461
Brugia malayi Trypsin family protein 0.0186 0.2507 0.2342
Echinococcus granulosus bloom syndrome protein 0.0216 0.3037 0.2449
Loa Loa (eye worm) hypothetical protein 0.0186 0.2507 0.2342
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0186 0.2507 0.1875
Loa Loa (eye worm) hypothetical protein 0.0211 0.2942 0.2787
Echinococcus granulosus protein jagged 1 0.0211 0.2942 0.2347
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0089 0.0779 0.0576
Schistosoma mansoni notch 0.0211 0.2942 0.2347
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0186 0.2507 0.1875
Echinococcus granulosus neurogenic locus notch protein 0.0211 0.2942 0.2347
Schistosoma mansoni cercarial elastase (S01 family) 0.0186 0.2507 0.1875
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0144 0.1761 0.1761
Loa Loa (eye worm) hypothetical protein 0.0271 0.401 0.3878
Trichomonas vaginalis DNA helicase recq, putative 0.0216 0.3037 1
Onchocerca volvulus 0.0211 0.2942 0.0581
Schistosoma mansoni hypothetical protein 0.0211 0.2942 0.2347
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0553 0.9024 0.9002
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0089 0.0779 0.0576
Brugia malayi Calcium binding EGF domain containing protein 0.0211 0.2942 0.2787
Schistosoma mansoni cercarial elastase (S01 family) 0.0186 0.2507 0.1875
Loa Loa (eye worm) hypothetical protein 0.0211 0.2942 0.2787
Schistosoma mansoni notch 0.0211 0.2942 0.2347
Schistosoma mansoni notch 0.0211 0.2942 0.2347
Onchocerca volvulus 0.0211 0.2942 0.0581
Brugia malayi notch-like transmembrane receptor 0.0211 0.2942 0.2787
Onchocerca volvulus 0.0211 0.2942 0.0581
Brugia malayi Trypsin family protein 0.0186 0.2507 0.2342
Entamoeba histolytica recQ family helicase, putative 0.0116 0.1246 1
Loa Loa (eye worm) hypothetical protein 0.0186 0.2507 0.2342
Brugia malayi Cadherin domain containing protein 0.0211 0.2942 0.2787
Loa Loa (eye worm) notch protein 0.0211 0.2942 0.2787
Echinococcus multilocularis tissue type plasminogen activator 0.0608 1 1
Brugia malayi EGF-like domain containing protein 0.0211 0.2942 0.2787
Brugia malayi Cadherin domain containing protein 0.0211 0.2942 0.2787
Echinococcus multilocularis notch 0.0211 0.2942 0.2347
Echinococcus granulosus fibropellin Ia 0.0211 0.2942 0.2347
Schistosoma mansoni hypothetical protein 0.0211 0.2942 0.2347
Onchocerca volvulus 0.0211 0.2942 0.0581
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0096 0.0893 0.0124
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0089 0.0779 0.0576
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0186 0.2507 0.1875
Brugia malayi EGF-like domain containing protein 0.0211 0.2942 0.2787
Onchocerca volvulus Arrow homolog 0.0553 0.9024 0.8697
Echinococcus multilocularis Tolloid protein 1 0.0553 0.9024 0.8941
Brugia malayi hypothetical protein 0.0186 0.2507 0.2342
Echinococcus multilocularis enteropeptidase 0.0186 0.2507 0.1875
Loa Loa (eye worm) hypothetical protein 0.0211 0.2942 0.2787
Schistosoma mansoni cercarial elastase (S01 family) 0.0186 0.2507 0.1875
Schistosoma mansoni slit 0.0211 0.2942 0.2347
Mycobacterium ulcerans hypothetical protein 0.0186 0.2507 0.5
Schistosoma mansoni septate junction protein 0.0211 0.2942 0.2347
Echinococcus multilocularis laminin 0.0553 0.9024 0.8941
Loa Loa (eye worm) hypothetical protein 0.0553 0.9024 0.9002
Echinococcus granulosus enteropeptidase 0.0186 0.2507 0.1875
Schistosoma mansoni hypothetical protein 0.0186 0.2507 0.1875
Leishmania major hypothetical protein, conserved 0.0608 1 1
Loa Loa (eye worm) hypothetical protein 0.0211 0.2942 0.2787
Loa Loa (eye worm) hypothetical protein 0.0211 0.2942 0.2787
Echinococcus multilocularis protein jagged 2 0.0211 0.2942 0.2347
Onchocerca volvulus 0.0211 0.2942 0.0581
Brugia malayi EGF-like domain containing protein 0.0211 0.2942 0.2787
Schistosoma mansoni cercarial elastase (S01 family) 0.0186 0.2507 0.1875
Echinococcus multilocularis glycoprotein Antigen 5 0.0186 0.2507 0.1875
Brugia malayi Calcium binding EGF domain containing protein 0.0553 0.9024 0.9002
Echinococcus granulosus neural cadherin 0.0211 0.2942 0.2347
Schistosoma mansoni cell polarity protein 0.0211 0.2942 0.2347
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0211 0.2942 0.0581
Loa Loa (eye worm) hypothetical protein 0.0186 0.2507 0.2342
Loa Loa (eye worm) hypothetical protein 0.0211 0.2942 0.2787
Brugia malayi EGF-like domain containing protein 0.0211 0.2942 0.2787
Schistosoma mansoni hypothetical protein 0.0096 0.0893 0.0124
Echinococcus multilocularis transmembrane protease serine 3 0.0186 0.2507 0.1875
Echinococcus multilocularis geminin 0.0196 0.2674 0.2055
Echinococcus multilocularis neurogenic locus notch protein 4 0.0211 0.2942 0.2347
Schistosoma mansoni cercarial elastase (S01 family) 0.0186 0.2507 0.1875
Loa Loa (eye worm) trypsin family protein 0.0186 0.2507 0.2342
Schistosoma mansoni hypothetical protein 0.0096 0.0893 0.0124
Echinococcus multilocularis fibropellin Ia 0.0211 0.2942 0.2347
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.019 0.257 0.1943
Loa Loa (eye worm) hypothetical protein 0.0608 1 1
Echinococcus multilocularis protein jagged 1 0.0211 0.2942 0.2347
Onchocerca volvulus 0.0608 1 1
Echinococcus multilocularis protein jagged 1 0.0211 0.2942 0.2347
Brugia malayi EGF-like domain containing protein 0.0211 0.2942 0.2787
Trypanosoma cruzi hypothetical protein, conserved 0.0608 1 1
Echinococcus granulosus neurogenic locus protein delta 0.0211 0.2942 0.2347
Schistosoma mansoni cercarial elastase (S01 family) 0.0186 0.2507 0.1875
Loa Loa (eye worm) hypothetical protein 0.0211 0.2942 0.2787
Echinococcus granulosus notch 0.0211 0.2942 0.2347
Brugia malayi Calcium binding EGF domain containing protein 0.0211 0.2942 0.2787
Loa Loa (eye worm) hypothetical protein 0.0186 0.2507 0.2342
Loa Loa (eye worm) transcription factor SMAD2 0.0138 0.1645 0.1461
Echinococcus multilocularis fibrillin 1 0.0553 0.9024 0.8941
Echinococcus multilocularis Mastin 0.0186 0.2507 0.1875
Schistosoma mansoni laminin gamma-3 chain 0.0211 0.2942 0.2347
Echinococcus granulosus Tolloid protein 1 0.0553 0.9024 0.8941
Loa Loa (eye worm) hypothetical protein 0.0211 0.2942 0.2787
Schistosoma mansoni notch 0.0211 0.2942 0.2347
Loa Loa (eye worm) hypothetical protein 0.0186 0.2507 0.2342
Schistosoma mansoni hypothetical protein 0.0211 0.2942 0.2347
Schistosoma mansoni hypothetical protein 0.0608 1 1
Onchocerca volvulus Slit protein homolog 0.0211 0.2942 0.0581
Brugia malayi EGF-like domain containing protein 0.0211 0.2942 0.2787
Brugia malayi Muscle positioning protein 4 0.0211 0.2942 0.2787
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0553 0.9024 0.9002
Loa Loa (eye worm) apoptosis regulator protein 0.0096 0.0893 0.0692
Schistosoma mansoni notch 0.0211 0.2942 0.2347
Plasmodium falciparum cysteine repeat modular protein 1 0.0608 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0186 0.2507 0.1875
Loa Loa (eye worm) hypothetical protein 0.0096 0.0893 0.0692
Echinococcus multilocularis neurogenic locus notch protein 0.0211 0.2942 0.2347
Brugia malayi Delta serrate ligand family protein 0.0211 0.2942 0.2787
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0608 1 1
Loa Loa (eye worm) hypothetical protein 0.0211 0.2942 0.2787
Schistosoma mansoni apoptosis regulator bax 0.0096 0.0893 0.0124
Schistosoma mansoni cercarial elastase (S01 family) 0.0186 0.2507 0.1875
Loa Loa (eye worm) hypothetical protein 0.0211 0.2942 0.2787
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0553 0.9024 0.8941
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0096 0.0893 0.0124
Loa Loa (eye worm) hypothetical protein 0.0211 0.2942 0.2787
Brugia malayi Calcium binding EGF domain containing protein 0.0211 0.2942 0.2787
Brugia malayi GCC2 and GCC3 family protein 0.0211 0.2942 0.2787
Schistosoma mansoni hypothetical protein 0.0196 0.2674 0.2055
Onchocerca volvulus Neurogenic locus notch homolog 0.0211 0.2942 0.0581
Echinococcus granulosus laminin 0.0553 0.9024 0.8941
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0186 0.2507 0.1875
Loa Loa (eye worm) hypothetical protein 0.0211 0.2942 0.2787
Echinococcus granulosus protein jagged 2 0.0211 0.2942 0.2347
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0186 0.2507 0.1875
Echinococcus granulosus slit 2 protein 0.0211 0.2942 0.2347
Loa Loa (eye worm) hypothetical protein 0.0553 0.9024 0.9002
Echinococcus granulosus delta-like protein 1 0.0211 0.2942 0.2347
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0089 0.0779 0.0779
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0186 0.2507 0.1875
Loa Loa (eye worm) hypothetical protein 0.0211 0.2942 0.2787
Loa Loa (eye worm) hypothetical protein 0.0211 0.2942 0.2787
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0096 0.0893 0.0124
Echinococcus multilocularis neurogenic locus protein delta 0.0211 0.2942 0.2347
Echinococcus multilocularis neurogenic locus notch protein 0.0211 0.2942 0.2347
Brugia malayi Bloom's syndrome protein homolog 0.0216 0.3037 0.2884
Echinococcus multilocularis fat cadherin tumor suppressor 0.0211 0.2942 0.2347
Schistosoma mansoni cercarial elastase (S01 family) 0.0186 0.2507 0.1875
Echinococcus multilocularis slit 2 protein 0.0211 0.2942 0.2347
Loa Loa (eye worm) hypothetical protein 0.0186 0.2507 0.2342
Brugia malayi Trypsin family protein 0.0186 0.2507 0.2342
Brugia malayi Kringle domain containing protein 0.0608 1 1
Loa Loa (eye worm) hypothetical protein 0.0211 0.2942 0.2787
Toxoplasma gondii EGF family domain-containing protein 0.0211 0.2942 0.2942
Echinococcus granulosus glycoprotein Antigen 5 0.0186 0.2507 0.1875
Schistosoma mansoni hypothetical protein 0.0196 0.2674 0.2055
Schistosoma mansoni cercarial elastase (S01 family) 0.0186 0.2507 0.1875
Loa Loa (eye worm) TK/ROR protein kinase 0.0608 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0138 0.1645 0.1461
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0186 0.2507 0.1875
Echinococcus granulosus geminin 0.0196 0.2674 0.2055
Echinococcus granulosus neurogenic locus notch protein 4 0.0211 0.2942 0.2347
Onchocerca volvulus Putative cubilin 0.0211 0.2942 0.0581
Loa Loa (eye worm) hypothetical protein 0.0553 0.9024 0.9002

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 225 nM Displacement of [3H]E2 from human placental microsomal 17beta-HSD2 after 20 mins by cell-free assay ChEMBL. 25259513
IC50 (binding) = 698 nM Displacement of [3H]E1 from human placental cytosolic17beta-HSD1 after 10 mins by cell-free assay ChEMBL. 25259513

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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