Detailed information for compound 1670169

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 351.399 | Formula: C20H21N3O3
  • H donors: 2 H acceptors: 3 LogP: 2.92 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CCNC(=O)[C@@H](NC(=O)OCc1ccccc1)CCc1ccccc1
  • InChi: 1S/C20H21N3O3/c21-13-14-22-19(24)18(12-11-16-7-3-1-4-8-16)23-20(25)26-15-17-9-5-2-6-10-17/h1-10,18H,11-12,14-15H2,(H,22,24)(H,23,25)/t18-/m0/s1
  • InChiKey: DJJYGNWEVHHYFL-SFHVURJKSA-N  


Substructure search Similarity search

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
Schistosoma mansoni hypothetical protein 0.0017 0.0352 0.0352
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0043 0.2258 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.1178 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.3182 0.316
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.3182 0.2933
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0028 0.1194 0.0873
Brugia malayi hypothetical protein 0.0028 0.1178 0.0856
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0028 0.1128 0.4328
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0023 0.0802 0.2692
Mycobacterium tuberculosis Probable thioesterase TesA 0.0024 0.0835 0.2859
Echinococcus multilocularis tar DNA binding protein 0.0145 1 1
Loa Loa (eye worm) TAR-binding protein 0.0145 1 1
Toxoplasma gondii type I fatty acid synthase, putative 0.002 0.0574 0.3708
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0023 0.0774 0.172
Schistosoma mansoni tar DNA-binding protein 0.0145 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.1178 0.5
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.003 0.1328 0.481
Loa Loa (eye worm) RNA binding protein 0.0145 1 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.003 0.1328 0.481
Onchocerca volvulus Fatty acid synthase homolog 0.0051 0.2921 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0352 0.0352
Loa Loa (eye worm) hypothetical protein 0.0037 0.1872 0.1846
Mycobacterium leprae Polyketide synthase Pks13 0.0043 0.2258 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0028 0.1194 0.4065
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.1178 0.5
Schistosoma mansoni hypothetical protein 0.0017 0.0352 0.0352
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0027 0.1053 0.395
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0352 0.0352
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.003 0.1328 0.481
Mycobacterium ulcerans Type I modular polyketide synthase 0.0028 0.1194 0.4065
Mycobacterium ulcerans thioesterase 0.0024 0.0835 0.2064
Loa Loa (eye worm) hypothetical protein 0.0028 0.1178 0.115
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.3182 0.2933
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0054 0.3121 0.287
Loa Loa (eye worm) hypothetical protein 0.0017 0.0352 0.0321
Mycobacterium leprae Probable polyketide synthase Pks1 0.003 0.1328 0.481
Mycobacterium ulcerans polyketide synthase Pks13 0.0043 0.2258 1
Schistosoma mansoni hypothetical protein 0.0037 0.1872 0.1872
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.1178 0.5
Brugia malayi TAR-binding protein 0.0145 1 1
Brugia malayi hypothetical protein 0.0018 0.0421 0.0071
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0043 0.2258 1
Schistosoma mansoni tar DNA-binding protein 0.0145 1 1
Mycobacterium ulcerans polyketide synthase 0.003 0.1328 0.481
Brugia malayi RNA recognition motif domain containing protein 0.0145 1 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.0028 0.1194 0.4065
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.3182 0.316
Echinococcus granulosus GPCR family 2 0.0017 0.0352 0.0352
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0028 0.1194 0.4659
Schistosoma mansoni tar DNA-binding protein 0.0145 1 1
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.002 0.0588 0.1618
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0028 0.1128 0.4328
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0028 0.1194 0.4659
Loa Loa (eye worm) fatty acid synthase 0.0028 0.1165 0.1137
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.1178 0.8748
Schistosoma mansoni hypothetical protein 0.0017 0.0352 0.0352
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.003 0.1328 0.533
Echinococcus granulosus tar DNA binding protein 0.0145 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0352 0.0352
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0028 0.1194 0.4065
Onchocerca volvulus 0.005 0.2788 0.9285
Mycobacterium tuberculosis Polyketide synthase Pks12 0.003 0.1328 0.533
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0028 0.1194 0.4659
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.1178 0.5
Toxoplasma gondii type I fatty acid synthase, putative 0.003 0.1328 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.2657 0.2634
Schistosoma mansoni hypothetical protein 0.0017 0.0352 0.0352
Brugia malayi AMP-binding enzyme family protein 0.0027 0.1053 0.0726
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0352 0.0321
Schistosoma mansoni tar DNA-binding protein 0.0145 1 1
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.003 0.1328 0.481
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.1178 0.5
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0027 0.1053 0.1024
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0023 0.0774 0.172
Mycobacterium ulcerans Type I modular polyketide synthase 0.0028 0.1194 0.4065
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0352 0.0352
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0018 0.0438 0.2574
Echinococcus multilocularis GPCR, family 2 0.0017 0.0352 0.0352
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0028 0.1194 0.4065
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0024 0.0835 0.2064
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0023 0.0774 0.172
Mycobacterium ulcerans thioesterase TesA 0.0024 0.0835 0.2064
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.1872 0.1576
Leishmania major hypothetical protein, conserved 0.0028 0.1178 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0145 1 1
Mycobacterium ulcerans polyketide synthase 0.0028 0.1194 0.4065
Schistosoma mansoni tar DNA-binding protein 0.0145 1 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0248 0.0217
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.003 0.1328 0.533

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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