Detailed information for compound 1156422

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 384.856 | Formula: C21H21ClN2O3
  • H donors: 1 H acceptors: 2 LogP: 4.15 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)Cc1cc(C)cc(c1)C)OCCn1ccc(=O)[nH]c1=O
  • InChi: 1S/C21H21ClN2O3/c1-14-9-15(2)11-16(10-14)12-17-13-18(22)3-4-19(17)27-8-7-24-6-5-20(25)23-21(24)26/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,23,25,26)
  • InChiKey: PEMGMEUJZBQFSB-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
Loa Loa (eye worm) hypothetical protein 0.0011 0.0096 0.0000000020559
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0022 0.2517 0.2002
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 1 1
Schistosoma mansoni hypothetical protein 0.0018 0.1509 0.2192
Schistosoma mansoni ap endonuclease 0.0021 0.2265 0.3364
Entamoeba histolytica recQ family helicase, putative 0.0022 0.2517 0.3847
Trichomonas vaginalis DNA helicase recq, putative 0.0022 0.2517 1
Schistosoma mansoni hypothetical protein 0.0041 0.6543 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.6543 1
Echinococcus granulosus bloom syndrome protein 0.0022 0.2517 0.2002
Giardia lamblia Sgs1 DNA helicase, putative 0.0022 0.2517 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0022 0.2517 0.1187
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.6543 1
Brugia malayi Bloom's syndrome protein homolog 0.0022 0.2517 0.1187
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0022 0.2517 1
Trichomonas vaginalis DNA helicase recq1, putative 0.0022 0.2517 1
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0022 0.2517 0.2002
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0096 0.0381
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.2265 1
Schistosoma mansoni hypothetical protein 0.0018 0.1509 0.2192
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.2265 1
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0022 0.2517 1
Toxoplasma gondii exonuclease III APE 0.0021 0.2265 0.8998
Entamoeba histolytica hypothetical protein 0.0041 0.6543 1
Entamoeba histolytica hypothetical protein 0.0041 0.6543 1
Trichomonas vaginalis DNA helicase recq, putative 0.0022 0.2517 1
Schistosoma mansoni hypothetical protein 0.0039 0.607 0.9266
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.2265 0.5
Loa Loa (eye worm) hypothetical protein 0.0022 0.2517 0.2445
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0022 0.2517 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0022 0.2517 0.1187
Schistosoma mansoni hypothetical protein 0.0018 0.1509 0.2192
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.2265 0.219
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 1 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.2265 0.1501
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0022 0.2517 0.2445
Entamoeba histolytica hypothetical protein 0.0041 0.6543 1
Schistosoma mansoni ap endonuclease 0.0021 0.2265 0.3364
Loa Loa (eye worm) hypothetical protein 0.0057 1 1
Loa Loa (eye worm) RecQ helicase 0.0022 0.2517 0.2445
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.2265 0.089
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.2265 0.8958
Entamoeba histolytica hypothetical protein 0.0041 0.6543 1
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0011 0.0096 0.0423
Schistosoma mansoni DNA helicase recq1 0.0022 0.2517 0.3755
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.2265 0.5
Schistosoma mansoni hypothetical protein 0.0018 0.1509 0.2192
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0022 0.2517 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0021 0.2265 0.3461
Echinococcus multilocularis bloom syndrome protein 0.0022 0.2517 0.2002
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.2265 0.5
Entamoeba histolytica recQ family DNA helicase 0.0011 0.0096 0.0146
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.2265 0.1501
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.2265 0.8958
Loa Loa (eye worm) hypothetical protein 0.0039 0.607 0.6032
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.6543 1
Schistosoma mansoni DNA helicase recq5 0.0022 0.2517 0.3755
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0022 0.2517 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.1509 0.1427
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0022 0.2517 0.2002
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.607 0.5371
Loa Loa (eye worm) hypothetical protein 0.0018 0.1509 0.1427
Brugia malayi hypothetical protein 0.0041 0.6543 0.5929
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0022 0.2517 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0022 0.2517 1
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0022 0.2517 0.2002

Activities

Activity type Activity value Assay description Source Reference
CC50 (ADMET) > 200 uM Cytotoxicity against human CEM cells after 4 days by MTT assay ChEMBL. 21903401

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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