Detailed information for compound 1759785

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 366.453 | Formula: C22H26N2O3
  • H donors: 1 H acceptors: 2 LogP: 3.31 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CCC(N1CCOc1ccccc1)(C)C(=O)Nc1c(C)cccc1C
  • InChi: 1S/C22H26N2O3/c1-16-8-7-9-17(2)20(16)23-21(26)22(3)13-12-19(25)24(22)14-15-27-18-10-5-4-6-11-18/h4-11H,12-15H2,1-3H3,(H,23,26)
  • InChiKey: PBJCZLLXIOZESK-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
Echinococcus granulosus cathepsin l cysteine peptidase 0.0408 0.2489 1
Loa Loa (eye worm) cysteine protease 0.0408 0.2489 0.1977
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0569 0.4249 0.5698
Entamoeba histolytica cysteine proteinase, putative 0.0408 0.2489 1
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0548 0.4026 0.399
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0569 0.4249 0.5722
Brugia malayi Cathepsin L-like precursor 0.0408 0.2489 0.2489
Plasmodium vivax vivapain-2 0.0408 0.2489 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0454 0.2994 0.4032
Loa Loa (eye worm) fatty acid synthase 0.0579 0.4362 0.4431
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0408 0.2489 1
Leishmania major cathepsin L-like protease 0.0408 0.2489 0.5
Echinococcus multilocularis cathepsin L cysteine protease 0.0408 0.2489 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0408 0.2489 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0408 0.2489 1
Mycobacterium ulcerans thioesterase TesA 0.0489 0.3377 0.4548
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0408 0.2489 0.1977
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0605 0.4648 0.626
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0605 0.4648 0.626
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0408 0.2489 1
Entamoeba histolytica cysteine proteinase, putative 0.0408 0.2489 1
Brugia malayi Cathepsin L-like precursor 0.0408 0.2489 0.2489
Loa Loa (eye worm) hypothetical protein 0.0311 0.1425 0.0584
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0454 0.2994 0.3998
Onchocerca volvulus 0.0408 0.2489 0.1718
Entamoeba histolytica cysteine protease, putative 0.0408 0.2489 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0408 0.2489 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0569 0.4249 0.5698
Onchocerca volvulus 0.1021 0.9204 0.9536
Trypanosoma cruzi cysteine peptidase, putative 0.0408 0.2489 1
Onchocerca volvulus 0.0408 0.2489 0.1718
Toxoplasma gondii type I fatty acid synthase, putative 0.0418 0.2597 0.3927
Onchocerca volvulus Cathepsin L homolog 0.0408 0.2489 0.1718
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0408 0.2489 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0408 0.2489 1
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0184 0.0043 0.0058
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0408 0.2489 1
Echinococcus multilocularis cysteine protease 0.0408 0.2489 1
Mycobacterium ulcerans polyketide synthase 0.0569 0.4249 0.5722
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0408 0.2489 1
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0859 0.7426 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.0569 0.4249 0.5722
Leishmania major cathepsin L-like protease 0.0408 0.2489 0.5
Loa Loa (eye worm) fibroinase 0.0408 0.2489 0.1977
Loa Loa (eye worm) hypothetical protein 0.0273 0.1013 0.0045
Onchocerca volvulus 0.0548 0.4026 0.3507
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0408 0.2489 1
Mycobacterium ulcerans polyketide synthase Pks9 0.037 0.2074 0.2793
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.037 0.2074 0.2793
Loa Loa (eye worm) hypothetical protein 0.0273 0.1013 0.0045
Echinococcus granulosus cathepsin l1 0.0408 0.2489 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0408 0.2489 1
Toxoplasma gondii cathepsin CPL 0.0408 0.2489 0.3605
Leishmania major cathepsin L-like protease 0.0408 0.2489 0.5
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0605 0.4648 0.626
Brugia malayi Papain family cysteine protease containing protein 0.021 0.0325 0.0325
Onchocerca volvulus Cathepsin F homolog 0.0408 0.2489 0.1718
Entamoeba histolytica cysteine proteinase, putative 0.0273 0.1013 0.3182
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0408 0.2489 1
Plasmodium vivax vivapain-2 0.0408 0.2489 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0408 0.2489 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0408 0.2489 1
Leishmania major cathepsin L-like protease 0.0408 0.2489 0.5
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0489 0.3377 0.4517
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0408 0.2489 1
Toxoplasma gondii type I fatty acid synthase, putative 0.0605 0.4648 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0273 0.1013 0.3182
Schistosoma mansoni cathepsin F (C01 family) 0.0273 0.1013 0.3182
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0569 0.4249 0.4249
Mycobacterium ulcerans Type I modular polyketide synthase 0.0569 0.4249 0.5722
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0422 0.2639 0.3554
Mycobacterium ulcerans fatty acid synthase Fas 0.0184 0.0043 0.0058
Mycobacterium ulcerans thioesterase 0.0489 0.3377 0.4548
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0408 0.2489 1
Echinococcus multilocularis cysteine protease 0.0408 0.2489 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.037 0.2074 0.2751
Brugia malayi Papain family cysteine protease containing protein 0.0408 0.2489 0.2489
Onchocerca volvulus 0.0408 0.2489 0.1718
Leishmania major cathepsin L-like protease 0.0408 0.2489 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0408 0.2489 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0408 0.2489 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0408 0.2489 1
Leishmania major cathepsin L-like protease 0.0408 0.2489 0.5
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0462 0.3079 0.4146
Trypanosoma cruzi cruzipain precursor, putative 0.0408 0.2489 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0273 0.1013 0.1013
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0408 0.2489 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0408 0.2489 1
Loa Loa (eye worm) ctsf protein 0.0408 0.2489 0.1977
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0408 0.2489 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0408 0.2489 1
Schistosoma mansoni cathepsin F (C01 family) 0.0408 0.2489 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0408 0.2489 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0408 0.2489 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0408 0.2489 1
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0605 0.4648 0.626
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0548 0.4026 0.5422
Leishmania major cathepsin L-like protease 0.0408 0.2489 0.5
Brugia malayi Cathepsin L-like precursor 0.0408 0.2489 0.2489
Brugia malayi AMP-binding enzyme family protein 0.0548 0.4026 0.4026
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0408 0.2489 1
Onchocerca volvulus Fatty acid synthase homolog 0.1058 0.9603 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0408 0.2489 1
Onchocerca volvulus Cathepsin L homolog 0.0408 0.2489 0.1718
Brugia malayi Cathepsin L-like precursor 0.0273 0.1013 0.1013
Onchocerca volvulus 0.0408 0.2489 0.1718
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0334 0.1677 0.2258
Leishmania major cathepsin L-like protease 0.0408 0.2489 0.5
Mycobacterium ulcerans Type I modular polyketide synthase 0.0569 0.4249 0.5722
Mycobacterium leprae Probable polyketide synthase Pks1 0.0605 0.4648 0.6238
Loa Loa (eye worm) hypothetical protein 0.0968 0.8616 1
Mycobacterium ulcerans polyketide synthase 0.0605 0.4648 0.626
Brugia malayi Cathepsin L-like precursor 0.0408 0.2489 0.2489
Mycobacterium tuberculosis Probable thioesterase TesA 0.0489 0.3377 0.4548
Plasmodium falciparum cysteine proteinase falcipain 3 0.0408 0.2489 1
Loa Loa (eye worm) hypothetical protein 0.0273 0.1013 0.0045
Brugia malayi Cathepsin L-like precursor 0.0273 0.1013 0.1013
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0569 0.4251 0.5725
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0408 0.2489 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0408 0.2489 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0408 0.2489 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0408 0.2489 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0408 0.2489 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0408 0.2489 1
Trypanosoma cruzi cysteine peptidase, putative 0.0408 0.2489 1
Onchocerca volvulus 0.0408 0.2489 0.1718
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0381 0.2192 0.2726
Brugia malayi Cathepsin L-like precursor 0.0408 0.2489 0.2489
Brugia malayi cathepsin L-like precursor 0.0273 0.1013 0.1013
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0569 0.4249 0.5722
Leishmania major cysteine peptidase A (CPA) 0.0408 0.2489 0.5
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0454 0.2994 0.4032
Onchocerca volvulus 0.0408 0.2489 0.1718
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0408 0.2489 1
Echinococcus granulosus cathepsin l1 0.0273 0.1013 0.3182
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0569 0.4249 0.5722
Loa Loa (eye worm) hypothetical protein 0.0408 0.2489 0.1977
Brugia malayi Papain family cysteine protease containing protein 0.021 0.0325 0.0325
Echinococcus multilocularis cathepsin L cysteine protease 0.0408 0.2489 1
Trypanosoma cruzi cysteine peptidase, putative 0.0408 0.2489 1
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0184 0.0034 0.0046
Brugia malayi Cathepsin L-like precursor 0.0408 0.2489 0.2489
Mycobacterium ulcerans polyketide synthase Pks13 0.0859 0.7426 1
Mycobacterium leprae Polyketide synthase Pks13 0.0859 0.7426 1
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0605 0.4648 0.626
Schistosoma mansoni cathepsin F (C01 family) 0.0408 0.2489 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0408 0.2489 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0408 0.2489 0.1977
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0408 0.2489 1
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0605 0.4648 0.6238
Onchocerca volvulus 0.0408 0.2489 0.1718
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0237 0.0623 0.0838
Trypanosoma cruzi cysteine peptidase, putative 0.0408 0.2489 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0273 0.1013 0.3182
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0408 0.2489 1
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0859 0.7426 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0408 0.2489 1
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0569 0.4249 0.5722
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0569 0.4251 0.5725
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0408 0.2489 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0605 0.4648 0.6238
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0408 0.2489 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0273 0.1013 0.3182

Activities

No activities found for this compound.

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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