Detailed information for compound 76219

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 567.681 | Formula: C32H37N7O3
  • H donors: 3 H acceptors: 6 LogP: 3.88 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(CC(N)(C)C)N[C@@H]1CCc2c(N(C1=O)Cc1ccc(cc1)c1ccccc1c1nnn(n1)CC(O)C)cccc2
  • InChi: 1S/C32H37N7O3/c1-21(40)19-39-36-30(35-37-39)26-10-6-5-9-25(26)23-14-12-22(13-15-23)20-38-28-11-7-4-8-24(28)16-17-27(31(38)42)34-29(41)18-32(2,3)33/h4-15,21,27,40H,16-20,33H2,1-3H3,(H,34,41)/t21?,27-/m1/s1
  • InChiKey: FKUSCKCBPYOJGG-IAIRZMIISA-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 retinoid-x-receptor (RXR) 0.0022 0.0272 0.0319
Echinococcus multilocularis muscleblind protein 0.0148 0.6051 0.6031
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0022 0.0272 0.0272
Brugia malayi RNase H family protein 0.0024 0.0382 0.0382
Echinococcus multilocularis thyroid hormone receptor alpha 0.0159 0.6565 0.6548
Trypanosoma brucei ingi protein (ORF1) 0.0026 0.0476 0.0309
Brugia malayi RNase H family protein 0.0024 0.0382 0.0382
Brugia malayi nuclear receptor NHR-88 0.0022 0.0272 0.0272
Loa Loa (eye worm) hypothetical protein 0.0235 1 1
Schistosoma mansoni thyroid hormone receptor 0.0159 0.6565 0.9427
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0022 0.0272 0.0319
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0056 0.1825 0.4754
Echinococcus granulosus geminin 0.0168 0.6961 0.6946
Trypanosoma brucei RNA helicase, putative 0.0091 0.3418 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0626 0.0626
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0069 0.2445 0.2445
Echinococcus granulosus survival motor neuron protein 1 0.0235 1 1
Echinococcus multilocularis tar DNA binding protein 0.0069 0.2445 0.2406
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.1825 1
Schistosoma mansoni retinoic acid receptor RXR 0.0022 0.0272 0.0319
Echinococcus granulosus lamin dm0 0.003 0.0626 0.0578
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.03 0.025
Brugia malayi Bromodomain containing protein 0.0074 0.2678 0.2678
Loa Loa (eye worm) steroid hormone receptor 0.0022 0.0272 0.0272
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0056 0.1825 0.1825
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0026 0.0476 0.0309
Schistosoma mansoni tar DNA-binding protein 0.0069 0.2445 0.3464
Echinococcus multilocularis geminin 0.0168 0.6961 0.6946
Brugia malayi TAR-binding protein 0.0069 0.2445 0.2445
Echinococcus granulosus intermediate filament protein 0.003 0.0626 0.0578
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0022 0.0272 0.0222
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0138 0.5571 0.5549
Brugia malayi hypothetical protein 0.0016 0.0016 0.0016
Brugia malayi steroid hormone receptor 0.0022 0.0272 0.0272
Schistosoma mansoni thyroid hormone receptor 0.0159 0.6565 0.9427
Brugia malayi bZIP transcription factor family protein 0.0083 0.3086 0.3086
Loa Loa (eye worm) hypothetical protein 0.0022 0.0272 0.0272
Loa Loa (eye worm) hypothetical protein 0.004 0.1125 0.1125
Onchocerca volvulus 0.0065 0.2268 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.4691 0.4691
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0272 0.0272
Echinococcus multilocularis lamin dm0 0.003 0.0626 0.0578
Echinococcus granulosus ribonuclease H1 0.0024 0.0382 0.0332
Echinococcus granulosus FTZ F1 alpha 0.0022 0.0272 0.0222
Schistosoma mansoni phosphoglucomutase 0.0024 0.0382 0.0479
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0022 0.0272 0.0272
Schistosoma mansoni zinc finger protein 0.0019 0.0165 0.0166
Schistosoma mansoni lamin 0.003 0.0626 0.0832
Schistosoma mansoni steroid hormone receptor ad4bp 0.0022 0.0272 0.0319
Echinococcus multilocularis zinc finger protein 0.0019 0.0165 0.0115
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0022 0.0272 0.0319
Schistosoma mansoni RAR-like nuclear receptor 0.0022 0.0272 0.0319
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0059 0.1985 0.1944
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0083 0.3086 0.305
Loa Loa (eye worm) hypothetical protein 0.0022 0.0272 0.0272
Trypanosoma brucei protein kinase, putative 0.0056 0.1825 0.4754
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0056 0.1825 1
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.1825 1
Treponema pallidum ribonuclease H (rnhA) 0.0024 0.0382 0.5
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0056 0.1825 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0022 0.0272 0.0222
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0022 0.0272 0.0272
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0272 0.0272
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0024 0.0382 0.5
Loa Loa (eye worm) hypothetical protein 0.0022 0.0272 0.0272
Schistosoma mansoni hypothetical protein 0.0168 0.6961 1
Giardia lamblia Kinase, CMGC MAPK 0.0056 0.1825 1
Schistosoma mansoni tar DNA-binding protein 0.0069 0.2445 0.3464
Brugia malayi MH2 domain containing protein 0.0118 0.4691 0.4691
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.4691 0.4691
Echinococcus granulosus tar DNA binding protein 0.0069 0.2445 0.2406
Brugia malayi ecdysteroid receptor 0.0022 0.0272 0.0272
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0056 0.1825 1
Echinococcus multilocularis survival motor neuron protein 1 0.0235 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0022 0.0272 0.0272
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0056 0.1825 1
Schistosoma mansoni hypothetical protein 0.0091 0.3418 0.4872
Schistosoma mansoni jun-related protein 0.0068 0.2372 0.3359
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0138 0.5571 0.5549
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0272 0.0222
Schistosoma mansoni hypothetical protein 0.0068 0.2372 0.3359
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0022 0.0272 0.0222
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0056 0.1825 1
Loa Loa (eye worm) intermediate filament protein 0.003 0.0626 0.0626
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0022 0.0272 0.0272
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0022 0.0272 0.0272
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.1465 0.1465
Schistosoma mansoni tar DNA-binding protein 0.0069 0.2445 0.3464
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0022 0.0272 0.0222
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0421 0.0128
Loa Loa (eye worm) hypothetical protein 0.0081 0.2981 0.2981
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0907 0.086
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0421 0.5
Loa Loa (eye worm) RNA binding protein 0.0069 0.2445 0.2445
Trypanosoma brucei unspecified product 0.0026 0.0476 0.0309
Echinococcus multilocularis ribonuclease H1 0.0024 0.0382 0.0332
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0272 0.0272
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0079 0.0079
Schistosoma mansoni hypothetical protein 0.0048 0.1465 0.2046
Echinococcus granulosus mitogen activated protein kinase 0.0056 0.1825 0.1783
Echinococcus granulosus ecdysone induced protein 78C 0.0022 0.0272 0.0222
Schistosoma mansoni phosphoglucomutase 0.0024 0.0382 0.0479
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0421 0.027
Loa Loa (eye worm) hypothetical protein 0.0022 0.0272 0.0272
Echinococcus granulosus jun protein 0.0083 0.3086 0.305
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0022 0.0272 0.0222
Brugia malayi Muscleblind-like protein 0.0148 0.6051 0.6051
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0272 0.0272
Schistosoma mansoni bromodomain containing protein 0.0063 0.2147 0.3033
Leishmania major hypothetical protein, conserved 0.0025 0.0421 0.027
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0272 0.0222
Echinococcus multilocularis mitogen activated protein kinase 0.0056 0.1825 0.1783
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0056 0.1825 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0272 0.0272
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0022 0.0272 0.0272
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.03 0.036
Loa Loa (eye worm) hypothetical protein 0.0025 0.0421 0.0421
Onchocerca volvulus 0.0048 0.1465 0.5977
Echinococcus multilocularis mitogen activated protein kinase 3 0.0056 0.1825 0.1783
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0022 0.0272 0.0222
Loa Loa (eye worm) hypothetical protein 0.0022 0.0272 0.0272
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0022 0.0272 0.0222
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0022 0.0272 0.0319
Loa Loa (eye worm) TAR-binding protein 0.0069 0.2445 0.2445
Onchocerca volvulus 0.003 0.0626 0.1775
Trypanosoma brucei ingi protein (ORF1) 0.0026 0.0476 0.0309
Brugia malayi Bromodomain containing protein 0.0038 0.1014 0.1014
Brugia malayi photoreceptor-specific nuclear receptor 0.0022 0.0272 0.0272
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0272 0.0222
Schistosoma mansoni intermediate filament proteins 0.003 0.0626 0.0832
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0022 0.0272 0.0222
Loa Loa (eye worm) hypothetical protein 0.0022 0.0272 0.0272
Echinococcus granulosus mitogen activated protein kinase 3 0.0056 0.1825 0.1783
Schistosoma mansoni tar DNA-binding protein 0.0069 0.2445 0.3464
Echinococcus granulosus zinc finger protein 0.0019 0.0165 0.0115
Brugia malayi hypothetical protein 0.0065 0.2268 0.2268
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.1825 1
Schistosoma mansoni serine/threonine protein kinase 0.0056 0.1825 0.2567
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0907 0.086
Brugia malayi RNA binding protein 0.0069 0.2445 0.2445
Brugia malayi nuclear hormone receptor 0.0022 0.0272 0.0272
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0421 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0272 0.0272
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0022 0.0272 0.0272
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0059 0.1985 0.1944
Brugia malayi Steroid receptor seven-up type 2 0.0022 0.0272 0.0272
Loa Loa (eye worm) hypothetical protein 0.0017 0.0051 0.0051
Brugia malayi intermediate filament protein 0.003 0.0626 0.0626
Schistosoma mansoni hypothetical protein 0.0138 0.5571 0.7989
Schistosoma mansoni hypothetical protein 0.0168 0.6961 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0601 0.0601
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0022 0.0272 0.0319
Schistosoma mansoni tar DNA-binding protein 0.0069 0.2445 0.3464
Echinococcus multilocularis lamin 0.003 0.0626 0.0578
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0022 0.0272 0.0272
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0022 0.0272 0.0272
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0022 0.0272 0.0272
Echinococcus granulosus muscleblind protein 0.0148 0.6051 0.6031
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0421 0.027
Schistosoma mansoni lamin 0.003 0.0626 0.0832
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0626 0.0626
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0056 0.1825 1
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0083 0.3086 0.305
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0272 0.0222
Loa Loa (eye worm) hypothetical protein 0.0042 0.1212 0.1212
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0022 0.0272 0.0319
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0022 0.0272 0.0222
Brugia malayi hypothetical protein 0.0025 0.0421 0.0421
Echinococcus multilocularis FTZ F1 alpha 0.0022 0.0272 0.0222
Brugia malayi RNA recognition motif domain containing protein 0.0069 0.2445 0.2445
Schistosoma mansoni phosphoglucomutase 0.0024 0.0382 0.0479
Trypanosoma brucei hypothetical protein, conserved 0.0026 0.0476 0.0309
Loa Loa (eye worm) hypothetical protein 0.0148 0.6051 0.6051
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0022 0.0272 0.0272
Onchocerca volvulus Ribonuclease H1 homolog 0.0024 0.0382 0.0552
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.03 0.025
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0421 0.027
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0213 0.0213
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0022 0.0272 0.0272
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0272 0.0272
Loa Loa (eye worm) hypothetical protein 0.0022 0.0272 0.0272
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0022 0.0272 0.0272
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.1825 1
Schistosoma mansoni survival motor neuron protein 0.0048 0.1465 0.2046
Loa Loa (eye worm) hypothetical protein 0.0022 0.0272 0.0272
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0022 0.0272 0.0222
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0421 0.5
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0272 0.0319
Brugia malayi MAP kinase sur-1 0.0056 0.1825 0.1825
Loa Loa (eye worm) hypothetical protein 0.0038 0.1018 0.1018
Schistosoma mansoni hypothetical protein 0.002 0.0213 0.0235
Schistosoma mansoni coup transcription factor 0.0022 0.0272 0.0319
Echinococcus granulosus lamin 0.003 0.0626 0.0578
Echinococcus multilocularis muscleblind protein 1 0.0148 0.6051 0.6031
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0626 0.0626
Echinococcus multilocularis jun protein 0.0083 0.3086 0.305
Echinococcus multilocularis musashi 0.003 0.0626 0.0578
Loa Loa (eye worm) hypothetical protein 0.0148 0.6051 0.6051
Brugia malayi RNase H family protein 0.0024 0.0382 0.0382
Onchocerca volvulus 0.003 0.0626 0.1775
Loa Loa (eye worm) hypothetical protein 0.007 0.2484 0.2484
Brugia malayi PHD-finger family protein 0.0025 0.0407 0.0407

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 0.05 uM In vitro effective dose for the growth hormone(GH) release in rat pituitary cells 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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

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