Detailed information for compound 1044678

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 330.852 | Formula: C19H23ClN2O
  • H donors: 0 H acceptors: 1 LogP: 4.9 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccccc1c1occ(n1)CN1CC[C@@H]2[C@@H](C1)CCCC2
  • InChi: 1S/C19H23ClN2O/c20-18-8-4-3-7-17(18)19-21-16(13-23-19)12-22-10-9-14-5-1-2-6-15(14)11-22/h3-4,7-8,13-15H,1-2,5-6,9-12H2/t14-,15-/m1/s1
  • InChiKey: XVZJUGJINNLDBY-HUUCEWRRSA-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

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 zinc finger protein 0.0018 0.0015 0.0015
Schistosoma mansoni ap endonuclease 0.0019 0.0032 0.0032
Echinococcus multilocularis histone deacetylase 7 0.0502 0.7619 0.7619
Trypanosoma cruzi histone deacetylase 1, putative 0.0653 1 1
Echinococcus multilocularis histone deacetylase 1 0.0653 1 1
Echinococcus multilocularis geminin 0.0165 0.2325 0.2325
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0032 0.0032
Trypanosoma cruzi cruzipain precursor, putative 0.0062 0.071 0.071
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0196 0.2814 0.2814
Toxoplasma gondii histone deacetylase HDAC3 0.0653 1 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0481 0.0481
Leishmania major histone deacetylase, putative 0.0502 0.7619 0.7619
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.071 0.071
Leishmania major histone deacetylase, putative 0.0653 1 1
Schistosoma mansoni histone deacetylase 4 5 0.0502 0.7619 0.7619
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0032 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0042 0.0393 0.0393
Echinococcus multilocularis methyl CpG binding domain protein 2 0.002 0.0047 0.0047
Trypanosoma cruzi histone deacetylase, putative 0.0502 0.7619 0.7619
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.071 0.071
Schistosoma mansoni methyl-cpg binding protein mbd 0.002 0.0047 0.0047
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0032 0.0032
Echinococcus granulosus methyl CpG binding domain protein 2 0.002 0.0047 0.0047
Trypanosoma brucei histone deacetylase 2 0.0281 0.4148 0.4148
Trypanosoma cruzi major cysteine proteinase, putative 0.0049 0.0502 0.0502
Brugia malayi PHD-finger family protein 0.0029 0.0191 0.0191
Schistosoma mansoni zinc finger protein 0.0023 0.0094 0.0094
Echinococcus multilocularis histone deacetylase 6 0.0502 0.7619 0.7619
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0032 0.0032
Loa Loa (eye worm) histone deacetylase 7A 0.0502 0.7619 0.7619
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.071 0.071
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.002 0.0047 0.0047
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0042 0.0393 0.0393
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0196 0.2814 0.2814
Toxoplasma gondii histone deacetylase HDAC2 0.0653 1 1
Schistosoma mansoni histone deacetylase 4 5 0.0502 0.7619 0.7619
Echinococcus multilocularis histone deacetylase 6 0.0502 0.7619 0.7619
Schistosoma mansoni bromodomain containing protein 0.0074 0.0893 0.0893
Plasmodium falciparum histone deacetylase, putative 0.0502 0.7619 0.7619
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0057 0.0626 0.0626
Echinococcus granulosus histone deacetylase 3 0.0653 1 1
Schistosoma mansoni histone deacetylase 0.0653 1 1
Leishmania major cathepsin L-like protease 0.0062 0.071 0.071
Loa Loa (eye worm) hypothetical protein 0.0221 0.3207 0.3207
Brugia malayi Histone deacetylase family protein 0.0502 0.7619 0.7619
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0196 0.2814 0.2814
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0032 0.5
Trichomonas vaginalis histone deacetylase, putative 0.0653 1 1
Plasmodium vivax histone deacetylase, putative 0.0502 0.7619 0.7619
Schistosoma mansoni histone deacetylase hda2 0.0281 0.4148 0.4148
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0032 0.0032
Trypanosoma cruzi histone deacetylase, putative 0.0502 0.7619 0.7619
Brugia malayi Histone deacetylase 1 0.0653 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.071 0.071
Echinococcus granulosus histone deacetylase 8 0.0281 0.4148 0.4148
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0069 0.0827 0.0827
Schistosoma mansoni histone deacetylase 0.0653 1 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0653 1 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0437 0.0437
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0032 0.5
Trichomonas vaginalis histone deacetylase, putative 0.0653 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.071 0.071
Schistosoma mansoni histone deacetylase hda2 0.0518 0.7883 0.7883
Echinococcus granulosus histone deacetylase 1 0.0653 1 1
Trichomonas vaginalis histone deacetylase, putative 0.0653 1 1
Toxoplasma gondii exonuclease III APE 0.0019 0.0032 0.0032
Schistosoma mansoni histone deacetylase 1 2 3 0.0281 0.4148 0.4148
Echinococcus granulosus fetal alzheimer antigen falz 0.0026 0.0148 0.0148
Trypanosoma brucei histone deacetylase 3 0.0502 0.7619 0.7619
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0059 0.0059
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.071 0.071
Trypanosoma cruzi histone deacetylase, putative 0.0281 0.4148 0.4148
Brugia malayi Bromodomain containing protein 0.0087 0.1107 0.1107
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.071 0.071
Trypanosoma brucei ISWI complex protein 0.0018 0.0015 0.0015
Schistosoma mansoni hypothetical protein 0.0165 0.2325 0.2325
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0032 0.0032
Loa Loa (eye worm) PHD-finger family protein 0.0024 0.0113 0.0113
Schistosoma mansoni hypothetical protein 0.0024 0.0113 0.0113
Loa Loa (eye worm) histone deacetylase 3 0.0653 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.002 0.0047 0.0047
Leishmania major cathepsin L-like protease 0.0062 0.071 0.071
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0069 0.0827 0.0827
Loa Loa (eye worm) histone deacetylase 11 0.0281 0.4148 0.4148
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.071 0.071
Schistosoma mansoni methyl-cpg binding protein mbd 0.002 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.005 0.0515 0.0515
Schistosoma mansoni hypothetical protein 0.0018 0.0015 0.0015
Echinococcus multilocularis histone deacetylase 6 0.0518 0.7883 0.7883
Trypanosoma brucei histone deacetylase 4 0.0502 0.7619 0.7619
Trypanosoma cruzi histone deacetylase 1, putative 0.0653 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0196 0.2814 0.2814
Trypanosoma cruzi ISWI complex protein 0.0018 0.0015 0.0015
Trypanosoma brucei histone deacetylase 1 0.0653 1 1
Toxoplasma gondii histone deacetylase HDAC5 0.0281 0.4148 0.4148
Leishmania major histone deacetylase, putative 0.0653 1 1
Leishmania major hypothetical protein, conserved 0.0018 0.0015 0.0015
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0032 0.0032
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.071 0.071
Schistosoma mansoni hypothetical protein 0.0165 0.2325 0.2325
Onchocerca volvulus Histone deacetylase 10 homolog 0.0281 0.4148 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0653 1 1
Echinococcus multilocularis zinc finger protein 0.0023 0.0094 0.0094
Plasmodium vivax histone deacetylase 2, putative 0.0502 0.7619 0.7619
Loa Loa (eye worm) histone deacetylase 0.0502 0.7619 0.7619
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0653 1 1
Toxoplasma gondii histone deacetylase HDAC4 0.0281 0.4148 0.4148
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.071 0.071
Echinococcus multilocularis histone deacetylase 0.0502 0.7619 0.7619
Loa Loa (eye worm) hypothetical protein 0.0238 0.3471 0.3471
Echinococcus multilocularis histone deacetylase 8 0.0281 0.4148 0.4148
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0196 0.2814 0.2814
Echinococcus granulosus histone deacetylase 0.0502 0.7619 0.7619
Echinococcus granulosus histone deacetylase 7 0.0502 0.7619 0.7619
Leishmania major histone deacetylase, putative 0.0502 0.7619 0.7619
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.071 0.071
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.071 0.071
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0026 0.0148 0.0148
Plasmodium falciparum histone deacetylase 1 0.0653 1 1
Echinococcus granulosus geminin 0.0165 0.2325 0.2325
Trypanosoma cruzi histone deacetylase, putative 0.0281 0.4148 0.4148
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0032 0.0032
Trichomonas vaginalis histone deacetylase, putative 0.0653 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0032 0.0032
Toxoplasma gondii histone deacetylase HDAC1 0.0502 0.7619 0.7619
Loa Loa (eye worm) hypothetical protein 0.0281 0.4148 0.4148
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0026 0.0148 0.0148
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0032 0.0032
Plasmodium vivax histone deacetylase, putative 0.0281 0.4148 0.4148
Loa Loa (eye worm) hypothetical protein 0.0653 1 1
Loa Loa (eye worm) histone deacetylase 1 0.0653 1 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0032 0.5
Echinococcus granulosus histone deacetylase 6 0.0502 0.7619 0.7619
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0196 0.2814 0.2814
Echinococcus granulosus histone lysine methyltransferase setb 0.002 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.0082 0.1029 0.1029
Echinococcus granulosus histone deacetylase 6 0.0518 0.7883 0.7883
Echinococcus multilocularis histone deacetylase 3 0.0653 1 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0047 0.0047
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0032 0.0032
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.071 0.071
Brugia malayi Histone deacetylase family protein 0.0502 0.7619 0.7619
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.002 0.0047 0.0047
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0032 0.0032
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0196 0.2814 0.2814
Echinococcus granulosus zinc finger protein 0.0023 0.0094 0.0094
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0196 0.2814 0.2814
Brugia malayi histone deacetylase 11 0.0281 0.4148 0.4148
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0196 0.2814 0.2814
Trypanosoma brucei histone deacetylase, putative 0.0502 0.7619 0.7619
Plasmodium vivax histone deacetylase 1, putative 0.0653 1 1
Trichomonas vaginalis histone deacetylase, putative 0.0653 1 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0032 0.0032
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0032 0.0032
Entamoeba histolytica histone deacetylase, putative 0.0653 1 1
Schistosoma mansoni ap endonuclease 0.0019 0.0032 0.0032
Plasmodium falciparum histone deacetylase 2 0.0502 0.7619 0.7619
Giardia lamblia Histone deacetylase 0.0653 1 1
Brugia malayi histone deacetylase 1 (HD1) 0.0653 1 1
Trichomonas vaginalis histone deacetylase, putative 0.0653 1 1
Trypanosoma cruzi ISWI complex protein 0.0018 0.0015 0.0015
Trypanosoma cruzi histone deacetylase, putative 0.0502 0.7619 0.7619
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.071 0.071
Leishmania major cathepsin L-like protease 0.0062 0.071 0.071
Echinococcus granulosus histone deacetylase 6 0.0502 0.7619 0.7619
Brugia malayi Bromodomain containing protein 0.0045 0.0436 0.0436
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0032 0.0032

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 15 % DNDI: Inhibition of Human African Trypanosomiasis, SBRI 427, in vitro at 2 ug.mL-1 ChEMBL. No reference

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.