Detailed information for compound 1053997

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 302.368 | Formula: C17H22N2O3
  • H donors: 0 H acceptors: 1 LogP: 2.33 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)c1occ(n1)CN1CC(C)OC(C1)C
  • InChi: 1S/C17H22N2O3/c1-12-8-19(9-13(2)22-12)10-15-11-21-17(18-15)14-5-4-6-16(7-14)20-3/h4-7,11-13H,8-10H2,1-3H3
  • InChiKey: VARGKDFNYOMIET-UHFFFAOYSA-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
Brugia malayi intermediate filament protein 0.0084 0.082 0.2187
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.004 0.0153 0.0049
Echinococcus granulosus lamin dm0 0.0084 0.082 0.0724
Loa Loa (eye worm) RNA binding protein 0.0203 0.2654 0.5762
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.005 0.0301 0.0199
Brugia malayi hypothetical protein 0.025 0.3379 1
Onchocerca volvulus 0.0051 0.0314 0.064
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0088 0.0892 0.5
Loa Loa (eye worm) hypothetical protein 0.0084 0.082 0.1618
Echinococcus multilocularis GPCR, family 2 0.005 0.0301 0.0199
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0084 0.082 0.1618
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0104 0.5
Loa Loa (eye worm) hypothetical protein 0.0158 0.1965 0.4204
Onchocerca volvulus Huntingtin homolog 0.025 0.3379 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0301 0.0444
Schistosoma mansoni tar DNA-binding protein 0.0203 0.2654 0.2576
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0158 0.1965 0.5681
Schistosoma mansoni hypothetical protein 0.005 0.0301 0.0199
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0104 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0104 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0104 0.5
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0088 0.0892 1
Echinococcus multilocularis snurportin 1 0.0325 0.4529 0.4471
Schistosoma mansoni lamin 0.0084 0.082 0.0724
Brugia malayi RNA binding protein 0.0203 0.2654 0.7786
Schistosoma mansoni peptidase Clp (S14 family) 0.0088 0.0892 0.0796
Brugia malayi RNA, U transporter 1 0.0087 0.0862 0.2315
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0104 0.5
Schistosoma mansoni tar DNA-binding protein 0.0203 0.2654 0.2576
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0088 0.0892 0.5
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0104 0.117
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0045 0.0222 0.0265
Schistosoma mansoni hypothetical protein 0.005 0.0301 0.0199
Trichomonas vaginalis esterase, putative 0.0037 0.0104 0.5
Brugia malayi Probable ClpP-like protease 0.0088 0.0892 0.2407
Schistosoma mansoni hypothetical protein 0.0108 0.1195 0.1102
Schistosoma mansoni hypothetical protein 0.005 0.0301 0.0199
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.005 0.0301 0.0199
Echinococcus granulosus snurportin 1 0.0325 0.4529 0.4471
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0088 0.0892 0.0796
Echinococcus multilocularis lamin 0.0084 0.082 0.0724
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0158 0.1965 0.4204
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0058 0.0423 0.1032
Brugia malayi RNA recognition motif domain containing protein 0.0203 0.2654 0.7786
Echinococcus granulosus survival motor neuron protein 1 0.0249 0.337 0.33
Schistosoma mansoni microtubule-associated protein tau 0.068 1 1
Loa Loa (eye worm) hypothetical protein 0.0108 0.1195 0.2464
Mycobacterium leprae Probable lipase LipE 0.0037 0.0104 0.117
Brugia malayi latrophilin 2 splice variant baaae 0.0108 0.1195 0.3329
Echinococcus granulosus lamin 0.0084 0.082 0.0724
Loa Loa (eye worm) hypothetical protein 0.004 0.0153 0.011
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0088 0.0892 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0058 0.0423 0.0322
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0088 0.0892 1
Schistosoma mansoni tar DNA-binding protein 0.0203 0.2654 0.2576
Loa Loa (eye worm) hypothetical protein 0.0249 0.337 0.7382
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0104 0.117
Schistosoma mansoni hypothetical protein 0.0051 0.0314 0.0212
Echinococcus granulosus intermediate filament protein 0.0084 0.082 0.0724
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.005 0.0301 0.06
Onchocerca volvulus 0.0084 0.082 0.2187
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0104 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0104 0.5
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.0314 0.064
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0088 0.0892 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.0797 0.1565
Echinococcus multilocularis survival motor neuron protein 1 0.0249 0.337 0.33
Onchocerca volvulus 0.0084 0.082 0.2187
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0088 0.0892 1
Schistosoma mansoni survival motor neuron protein 0.0051 0.0314 0.0212
Brugia malayi Latrophilin receptor protein 2 0.005 0.0301 0.06
Echinococcus granulosus cytoplasmic intermediate filament protein 0.004 0.0153 0.0049
Schistosoma mansoni tar DNA-binding protein 0.0203 0.2654 0.2576
Echinococcus multilocularis microtubule associated protein 2 0.068 1 1
Schistosoma mansoni lamin 0.0084 0.082 0.0724
Schistosoma mansoni hypothetical protein 0.0325 0.4529 0.4471
Loa Loa (eye worm) intermediate filament protein 0.0084 0.082 0.1618
Loa Loa (eye worm) hypothetical protein 0.0039 0.013 0.0057
Brugia malayi cytoplasmic intermediate filament protein 0.0045 0.0222 0.0358
Echinococcus multilocularis musashi 0.0084 0.082 0.0724
Brugia malayi hypothetical protein 0.0249 0.337 0.9975
Loa Loa (eye worm) hypothetical protein 0.025 0.3379 0.74
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0058 0.0423 0.4744
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0088 0.0892 0.5
Schistosoma mansoni intermediate filament proteins 0.0084 0.082 0.0724
Echinococcus granulosus GPCR family 2 0.005 0.0301 0.0199
Leishmania major hypothetical protein, conserved 0.0037 0.0104 0.5
Echinococcus granulosus peptidase Clp S14 family 0.0058 0.0423 0.0322
Toxoplasma gondii ABC1 family protein 0.0037 0.0104 0.117
Brugia malayi TAR-binding protein 0.0203 0.2654 0.7786
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0104 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.005 0.0301 0.0199
Brugia malayi Calcitonin receptor-like protein seb-1 0.0158 0.1965 0.5681
Echinococcus granulosus tar DNA binding protein 0.0203 0.2654 0.2576
Echinococcus multilocularis lamin dm0 0.0084 0.082 0.0724
Loa Loa (eye worm) latrophilin receptor protein 2 0.005 0.0301 0.0444
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.005 0.0301 0.0199
Loa Loa (eye worm) TAR-binding protein 0.0203 0.2654 0.5762
Loa Loa (eye worm) hypothetical protein 0.0039 0.013 0.0057
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0088 0.0892 0.0796
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0058 0.0423 0.1032
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0088 0.0892 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0238 0.3195 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0088 0.0892 1
Loa Loa (eye worm) hypothetical protein 0.0088 0.0892 0.1781
Onchocerca volvulus Huntingtin homolog 0.025 0.3379 1
Schistosoma mansoni hypothetical protein 0.005 0.0301 0.0199
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0088 0.0892 1
Brugia malayi Intermediate filament tail domain containing protein 0.0084 0.082 0.2187
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0203 0.2654 0.5762
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0325 0.4529 1
Schistosoma mansoni tar DNA-binding protein 0.0203 0.2654 0.2576
Echinococcus multilocularis tar DNA binding protein 0.0203 0.2654 0.2576
Loa Loa (eye worm) hypothetical protein 0.025 0.3379 0.74

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 35 % 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.