Detailed information for compound 376451

Basic information

Technical information
  • TDR Targets ID: 376451
  • Name: methyl 5-[di(propan-2-yl)amino]-5-oxo-4-pheny l-3-pyridin-2-ylpentanoate
  • MW: 382.496 | Formula: C23H30N2O3
  • H donors: 0 H acceptors: 3 LogP: 3.49 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)CC(C(C(=O)N(C(C)C)C(C)C)c1ccccc1)c1ccccn1
  • InChi: 1S/C23H30N2O3/c1-16(2)25(17(3)4)23(27)22(18-11-7-6-8-12-18)19(15-21(26)28-5)20-13-9-10-14-24-20/h6-14,16-17,19,22H,15H2,1-5H3
  • InChiKey: BSUSJWAHOYFFOL-UHFFFAOYSA-N  

Network

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Synonyms

  • methyl 5-(diisopropylamino)-5-oxo-4-phenyl-3-(2-pyridyl)pentanoate
  • 5-(diisopropylamino)-5-oxo-4-phenyl-3-(2-pyridyl)pentanoic acid methyl ester
  • methyl 5-[di(propan-2-yl)amino]-5-oxo-4-phenyl-3-pyridin-2-yl-pentanoate
  • 5-(diisopropylamino)-5-keto-4-phenyl-3-(2-pyridyl)valeric acid methyl ester
  • methyl 5-(di(propan-2-yl)amino)-5-oxo-4-phenyl-3-pyridin-2-ylpentanoate
  • methyl 5-(di(propan-2-yl)amino)-5-oxo-4-phenyl-3-pyridin-2-yl-pentanoate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens potassium voltage-gated channel, shaker-related subfamily, member 5 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04876 potassium voltage-gated channel, Shaker-related subfamily A, member, putative Get druggable targets OG5_127659 All targets in OG5_127659
Brugia malayi Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit Get druggable targets OG5_127659 All targets in OG5_127659
Schistosoma japonicum Potassium voltage-gated channel subfamily A member 5, putative Get druggable targets OG5_127659 All targets in OG5_127659
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_127659 All targets in OG5_127659
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_127659 All targets in OG5_127659
Schistosoma japonicum Potassium voltage-gated channel protein Shaker, putative Get druggable targets OG5_127659 All targets in OG5_127659
Echinococcus multilocularis potassium voltage gated channel protein Get druggable targets OG5_127659 All targets in OG5_127659
Echinococcus granulosus potassium voltage gated channel subfamily A Get druggable targets OG5_127659 All targets in OG5_127659
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127659 All targets in OG5_127659
Echinococcus multilocularis potassium voltage gated channel subfamily A Get druggable targets OG5_127659 All targets in OG5_127659
Echinococcus granulosus potassium voltage gated channel protein Get druggable targets OG5_127659 All targets in OG5_127659

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis voltage gated potassium channel potassium voltage-gated channel, shaker-related subfamily, member 5 613 aa 521 aa 34.9 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Echinococcus granulosus potassium voltage gated channel subfamily A 0.0104 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Brugia malayi AMP-binding enzyme family protein 0.0041 0.3093 0.3093
Brugia malayi neuropeptide F receptor 0.0031 0.1928 0.1928
Loa Loa (eye worm) neuropeptide F receptor 0.0031 0.1928 0.1272
Brugia malayi hypothetical protein 0.0031 0.1928 0.1928
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0029 0.1746 0.2981
Brugia malayi G protein-coupled receptor F59B2.13 0.0031 0.1928 0.1928
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0031 0.1928 0.1272
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Brugia malayi hypothetical protein 0.0031 0.1928 0.1928
Mycobacterium leprae Polyketide synthase Pks13 0.0066 0.5858 1
Brugia malayi neuropeptide F receptor 0.0031 0.1928 0.1928
Loa Loa (eye worm) hypothetical protein 0.0075 0.6772 0.651
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Mycobacterium ulcerans Type I modular polyketide synthase 0.0044 0.3417 0.5834
Brugia malayi Serotonin receptor 0.0031 0.1928 0.1928
Brugia malayi RE15519p 0.0031 0.1928 0.1928
Mycobacterium ulcerans thioesterase 0.0037 0.2595 0.443
Mycobacterium ulcerans polyketide synthase Pks13 0.0066 0.5858 1
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0031 0.1928 0.1928
Onchocerca volvulus Fatty acid synthase homolog 0.008 0.7378 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0036 0.2453 0.4155
Mycobacterium ulcerans Type I modular polyketide synthase 0.0044 0.3417 0.5834
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0037 0.2595 0.4398
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Brugia malayi Dopamine receptor protein 2 0.0031 0.1928 0.1928
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0041 0.3093 0.528
Brugia malayi hypothetical protein 0.0031 0.1928 0.1928
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0043 0.3266 0.5576
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0031 0.1928 0.1928
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0044 0.3417 0.5834
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Schistosoma mansoni voltage-gated potassium channel 0.0104 1 1
Brugia malayi hypothetical protein 0.0031 0.1928 0.1928
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0044 0.3417 0.5834
Loa Loa (eye worm) hypothetical protein 0.0025 0.1247 0.0536
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0044 0.3417 0.581
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0043 0.3266 0.5576
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0031 0.1928 0.1272
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0047 0.3724 0.6357
Mycobacterium ulcerans Type I modular polyketide synthase 0.0044 0.3417 0.5834
Echinococcus granulosus potassium voltage gated channel protein 0.0104 1 1
Loa Loa (eye worm) fatty acid synthase 0.0044 0.3351 0.2811
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0036 0.2453 0.4188
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0025 0.1288 0.2199
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Brugia malayi hypothetical protein 0.0031 0.1928 0.1928
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0031 0.1928 0.1928
Mycobacterium tuberculosis Probable thioesterase TesA 0.0037 0.2595 0.443
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0084 0.7835 0.7835
Mycobacterium ulcerans fatty acid synthase Fas 0.0014 0.0033 0.0056
Mycobacterium ulcerans polyketide synthase Pks9 0.0029 0.1746 0.2981
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Brugia malayi Tachykinin-like peptides receptor 99D 0.0031 0.1928 0.1928
Brugia malayi AKH receptor 0.0031 0.1928 0.1928
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0031 0.1928 0.1928
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0041 0.3093 0.2531
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0015 0.0179 0.0306
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Brugia malayi putative neuropeptide receptor NPR1 0.0031 0.1928 0.1928
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0047 0.3724 0.6357
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Onchocerca volvulus 0.0041 0.3093 0.2137
Brugia malayi GnHR receptor homolog 0.0031 0.1928 0.1928
Toxoplasma gondii type I fatty acid synthase, putative 0.0047 0.3724 1
Brugia malayi larval opioid receptor 0.0031 0.1928 0.1928
Loa Loa (eye worm) neuropeptide F receptor 0.0031 0.1928 0.1272
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0032 0.2027 0.3461
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0047 0.3724 0.6357
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0066 0.5858 1
Brugia malayi putative neuropeptide receptor 0.0031 0.1928 0.1928
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0047 0.3724 0.6357
Brugia malayi sulfakinin receptor protein 0.0031 0.1928 0.1928
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Brugia malayi Dopamine receptor 0.0031 0.1928 0.1928
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0031 0.1928 0.1272
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Brugia malayi hypothetical protein 0.0031 0.1928 0.1928
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Brugia malayi Melatonin receptor type 1A 0.0031 0.1928 0.1928
Brugia malayi follicle stimulating hormone receptor 0.0031 0.1928 0.1928
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0047 0.3724 0.6337
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0029 0.1746 0.2941
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0031 0.1928 0.1272
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0036 0.2453 0.4188
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0066 0.5858 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Loa Loa (eye worm) melatonin receptor type 1A 0.0031 0.1928 0.1272
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Brugia malayi G-protein coupled receptor 0.0031 0.1928 0.1928
Mycobacterium ulcerans polyketide synthase 0.0047 0.3724 0.6357
Mycobacterium ulcerans polyketide synthase 0.0044 0.3417 0.5834
Brugia malayi Serotonin receptor 0.0031 0.1928 0.1928
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Schistosoma mansoni voltage-gated potassium channel 0.0104 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Echinococcus multilocularis potassium voltage gated channel subfamily A 0.0099 0.9497 0.9377
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0044 0.3417 0.581
Brugia malayi hypothetical protein 0.0031 0.1928 0.1928
Mycobacterium ulcerans thioesterase TesA 0.0037 0.2595 0.443
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0036 0.2518 0.4299
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0044 0.3417 0.3417
Loa Loa (eye worm) TYRA-2 protein 0.0031 0.1928 0.1272
Brugia malayi hypothetical protein 0.0031 0.1928 0.1928
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0047 0.3724 0.6357
Brugia malayi hypothetical protein 0.0031 0.1928 0.1928
Toxoplasma gondii type I fatty acid synthase, putative 0.0032 0.1995 0.3708
Brugia malayi G protein-coupled receptor 0.0031 0.1928 0.1928
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0047 0.3724 0.6337
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Mycobacterium leprae Probable polyketide synthase Pks1 0.0047 0.3724 0.6337
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Echinococcus multilocularis potassium voltage gated channel protein 0.0104 1 1
Brugia malayi G-protein coupled receptor 0.0031 0.1928 0.1928
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Loa Loa (eye worm) hypothetical protein 0.0104 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0044 0.3417 0.5834
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0014 0.0033 0.0056
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0031 0.1928 0.1928
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Loa Loa (eye worm) hypothetical protein 0.0031 0.1928 0.1272
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0029 0.1684 0.2574
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0018 0.0478 0.0817
Brugia malayi hypothetical protein 0.0031 0.1928 0.1928
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0044 0.3417 0.5834
Brugia malayi ORL1-like opioid receptor 0.0031 0.1928 0.1928
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0031 0.1928 0.1272
Loa Loa (eye worm) G-protein coupled receptor 0.0031 0.1928 0.1272
Onchocerca volvulus 0.0077 0.7071 0.9438
Loa Loa (eye worm) G-protein coupled receptor 0.0031 0.1928 0.1272
Brugia malayi Dopamine receptor protein 1 0.0031 0.1928 0.1928

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6348 nM Inhibition of Kv1.5 ChEMBL. 16949818
IC50 (binding) = 6348 nM Inhibition of Kv1.5 ChEMBL. 16949818

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

1 literature reference was collected for this gene.

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