Detailed information for compound 1028476

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 443.494 | Formula: C26H25N3O4
  • H donors: 2 H acceptors: 2 LogP: 4.32 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2nccc(c2cc1OC)Nc1ccc(cc1)OCc1ccc(cc1)NC(=O)C
  • InChi: 1S/C26H25N3O4/c1-17(30)28-19-6-4-18(5-7-19)16-33-21-10-8-20(9-11-21)29-23-12-13-27-24-15-26(32-3)25(31-2)14-22(23)24/h4-15H,16H2,1-3H3,(H,27,29)(H,28,30)
  • InChiKey: LHQUBDDYTRQULS-UHFFFAOYSA-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
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0672 0.0428
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0029 0.0611 0.481
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.089 0.0769
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0116 0.3349 0.3282
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0011 0.0052 0.0527
Mycobacterium tuberculosis Probable thioesterase TesA 0.0023 0.0416 0.4254
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0029 0.0611 0.481
Loa Loa (eye worm) hypothetical protein 0.0015 0.0184 0.0086
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0051 0.1319 0.1288
Echinococcus granulosus lamin dm0 0.0116 0.3349 0.3175
Schistosoma mansoni hypothetical protein 0.0188 0.5588 0.5472
Loa Loa (eye worm) hypothetical protein 0.0017 0.0255 0.0158
Onchocerca volvulus Huntingtin homolog 0.0119 0.3425 1
Loa Loa (eye worm) hypothetical protein 0.0119 0.3425 0.336
Loa Loa (eye worm) hypothetical protein 0.0281 0.8517 0.8502
Loa Loa (eye worm) hypothetical protein 0.0054 0.1398 0.1313
Entamoeba histolytica hypothetical protein 0.004 0.0953 1
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0023 0.0417 0.0322
Schistosoma mansoni tar DNA-binding protein 0.0075 0.2067 0.186
Echinococcus multilocularis tar DNA binding protein 0.0075 0.2067 0.186
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0022 0.0403 0.4119
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0147 0.4323 0.4175
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0147 0.4323 0.4175
Onchocerca volvulus 0.0116 0.3349 0.9739
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0056 0.1465 0.1241
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0018 0.0259 0.2281
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.1438 0.1352
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0489 1
Echinococcus multilocularis snurportin 1 0.0329 1 1
Schistosoma mansoni importin beta-1 0.0031 0.0672 0.0428
Loa Loa (eye worm) hypothetical protein 0.0038 0.089 0.0799
Loa Loa (eye worm) TAR-binding protein 0.0075 0.2067 0.1988
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0041 0.0979 1
Echinococcus granulosus survival motor neuron protein 1 0.0281 0.8517 0.8478
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0147 0.4323 0.4267
Loa Loa (eye worm) hypothetical protein 0.0116 0.3349 0.3282
Loa Loa (eye worm) fatty acid synthase 0.0027 0.0547 0.0452
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0015 0.0191 0.1953
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.333 0.3264
Brugia malayi MH2 domain containing protein 0.0116 0.333 0.3722
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0147 0.4323 0.4175
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0029 0.0611 0.6242
Schistosoma mansoni intermediate filament proteins 0.0116 0.3349 0.3175
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0025 0.0502 0.5131
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0026 0.0532 0.5436
Mycobacterium ulcerans Type I modular polyketide synthase 0.0027 0.0558 0.4065
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0023 0.0417 0.5236
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0026 0.0532 0.5436
Schistosoma mansoni tar DNA-binding protein 0.0075 0.2067 0.186
Schistosoma mansoni survival motor neuron protein 0.0057 0.1504 0.1282
Mycobacterium ulcerans polyketide synthase Pks13 0.0041 0.0979 1
Mycobacterium leprae Polyketide synthase Pks13 0.0041 0.0979 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.0027 0.0558 0.4065
Echinococcus granulosus GTP binding nuclear protein Ran 0.0023 0.0417 0.0166
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0029 0.0611 0.6242
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0057 0.1504 0.1512
Brugia malayi cytoplasmic intermediate filament protein 0.0062 0.1658 0.1698
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.1438 0.1431
Leishmania major importin beta-1 subunit, putative 0.0025 0.0489 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0489 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0489 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0672 0.0579
Schistosoma mansoni lamin 0.0116 0.3349 0.3175
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.1438 0.1431
Entamoeba histolytica hypothetical protein 0.004 0.0953 1
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.333 0.3264
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0029 0.0611 0.481
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0023 0.0417 0.0196
Toxoplasma gondii type I fatty acid synthase, putative 0.0029 0.0611 0.8859
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0029 0.0611 0.481
Loa Loa (eye worm) RNA binding protein 0.0075 0.2067 0.1988
Mycobacterium ulcerans Type I modular polyketide synthase 0.0027 0.0558 0.4065
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0489 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0147 0.4323 0.4924
Echinococcus multilocularis lamin dm0 0.0116 0.3349 0.3175
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0027 0.0558 0.4065
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0329 1 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0027 0.0558 0.4065
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0147 0.4323 0.4175
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0027 0.0558 0.5702
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0029 0.0611 0.6242
Entamoeba histolytica hypothetical protein 0.0025 0.0489 0.1348
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0255 0.0158
Brugia malayi Intermediate filament tail domain containing protein 0.0116 0.3349 0.3745
Echinococcus multilocularis musashi 0.0116 0.3349 0.3175
Plasmodium vivax importin-beta 2, putative 0.0031 0.0672 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0147 0.4323 0.4175
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0502 0.0299
Echinococcus granulosus tar DNA binding protein 0.0075 0.2067 0.186
Loa Loa (eye worm) hypothetical protein 0.0056 0.1465 0.138
Mycobacterium ulcerans thioesterase TesA 0.0023 0.0416 0.2064
Schistosoma mansoni ran 0.0023 0.0417 0.0166
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0953 0.0716
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0041 0.0979 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0147 0.4323 0.4175
Brugia malayi hypothetical protein 0.0119 0.3425 0.3837
Echinococcus multilocularis survival motor neuron protein 1 0.0281 0.8517 0.8478
Schistosoma mansoni tar DNA-binding protein 0.0075 0.2067 0.186
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0953 0.0716
Schistosoma mansoni tar DNA-binding protein 0.0075 0.2067 0.186
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0023 0.0417 0.0166
Schistosoma mansoni hypothetical protein 0.0329 1 1
Brugia malayi RNA binding protein 0.0075 0.2067 0.2194
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0147 0.4323 0.4175
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0025 0.0502 0.0407
Toxoplasma gondii type I fatty acid synthase, putative 0.0019 0.0313 0.3285
Loa Loa (eye worm) hypothetical protein 0.0119 0.3425 0.336
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0027 0.0558 0.5702
Entamoeba histolytica hypothetical protein 0.004 0.0953 1
Mycobacterium ulcerans polyketide synthase 0.0029 0.0611 0.481
Loa Loa (eye worm) hypothetical protein 0.0054 0.1398 0.1313
Schistosoma mansoni hypothetical protein 0.0188 0.5588 0.5472
Echinococcus multilocularis lamin 0.0116 0.3349 0.3175
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0062 0.1658 0.1575
Loa Loa (eye worm) hypothetical protein 0.0055 0.1438 0.1352
Echinococcus granulosus lamin 0.0116 0.3349 0.3175
Onchocerca volvulus Huntingtin homolog 0.0119 0.3425 1
Brugia malayi RNA, U transporter 1 0.0088 0.2449 0.2656
Mycobacterium ulcerans polyketide synthase 0.0027 0.0558 0.4065
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0022 0.0392 0.172
Schistosoma mansoni tar DNA-binding protein 0.0075 0.2067 0.186
Brugia malayi TAR-binding protein 0.0075 0.2067 0.2194
Schistosoma mansoni hypothetical protein 0.0038 0.089 0.0652
Echinococcus granulosus geminin 0.0188 0.5588 0.5472
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.002 0.0319 0.3255
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0022 0.0392 0.172
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0027 0.0558 0.5702
Schistosoma mansoni lamin 0.0116 0.3349 0.3175
Schistosoma mansoni ran 0.0023 0.0417 0.0166
Brugia malayi Importin beta-1 subunit 0.0031 0.0672 0.0504
Echinococcus granulosus intermediate filament protein 0.0116 0.3349 0.3175
Onchocerca volvulus 0.0057 0.1504 0.3429
Plasmodium falciparum importin beta, putative 0.0031 0.0672 1
Onchocerca volvulus Fatty acid synthase homolog 0.0049 0.1241 0.2526
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0953 0.0716
Brugia malayi intermediate filament protein 0.0116 0.3349 0.3745
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0056 0.1465 0.1241
Echinococcus multilocularis geminin 0.0188 0.5588 0.5472
Loa Loa (eye worm) hypothetical protein 0.0114 0.3282 0.3215
Brugia malayi hypothetical protein 0.0281 0.8517 1
Schistosoma mansoni hypothetical protein 0.004 0.0953 0.0716
Echinococcus granulosus importin subunit beta 1 0.0031 0.0672 0.0428
Loa Loa (eye worm) intermediate filament protein 0.0116 0.3349 0.3282
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0023 0.0417 0.5
Onchocerca volvulus 0.0116 0.3349 0.9739
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0027 0.0558 0.0367
Loa Loa (eye worm) hypothetical protein 0.0046 0.1136 0.1048
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0075 0.2067 0.1988
Brugia malayi RNA recognition motif domain containing protein 0.0075 0.2067 0.2194
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0022 0.0392 0.172
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0672 1
Brugia malayi hypothetical protein 0.004 0.0953 0.0845
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0023 0.0416 0.2064
Mycobacterium ulcerans thioesterase 0.0023 0.0416 0.2064
Onchocerca volvulus 0.0047 0.1188 0.2345
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0672 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0027 0.0558 0.4065
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0672 1
Schistosoma mansoni hypothetical protein 0.0057 0.1504 0.1282
Entamoeba histolytica hypothetical protein 0.004 0.0953 1
Mycobacterium leprae Probable polyketide synthase Pks1 0.0029 0.0611 0.481

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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