Detailed information for compound 977106

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 312.406 | Formula: C19H24N2O2
  • H donors: 3 H acceptors: 2 LogP: 3.03 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@@](C(=O)Nc1ccc(cc1)c1cccc(c1)C(C)C)(N)C
  • InChi: 1S/C19H24N2O2/c1-13(2)15-5-4-6-16(11-15)14-7-9-17(10-8-14)21-18(23)19(3,20)12-22/h4-11,13,22H,12,20H2,1-3H3,(H,21,23)/t19-/m0/s1
  • InChiKey: MLGYRPHYLYHXLK-IBGZPJMESA-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 tyrosine kinase 0.0077 0.0576 0.0957
Schistosoma mansoni peptidylglycine monooxygenase 0.0259 0.2972 0.4938
Entamoeba histolytica hypothetical protein 0.005 0.0222 0.489
Schistosoma mansoni tyrosine kinase 0.0046 0.0171 0.0285
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0046 0.0171 0.0498
Brugia malayi Furin-like cysteine rich region family protein 0.0145 0.147 0.4946
Echinococcus multilocularis epidermal growth factor receptor 0.0078 0.0587 0.0564
Loa Loa (eye worm) DOMON domain-containing protein 0.005 0.0214 0.0721
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0054 0.0279 0.0463
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0066 0.0428 1
Echinococcus multilocularis 0.0054 0.0279 0.0255
Giardia lamblia Phosphatidylinositol 4-kinase 0.0054 0.0279 1
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.021 0.2331 0.7823
Echinococcus multilocularis insulin receptor 0.0046 0.0171 0.0147
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.021 0.2331 0.7823
Schistosoma mansoni hypothetical protein 0.0035 0.0024 0.0041
Leishmania major phosphatidylinositol 4-kinase, putative 0.0054 0.0279 0.2767
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0066 0.0428 0.1166
Loa Loa (eye worm) phosphatidylinositol 3 0.021 0.2331 0.7841
Brugia malayi hypothetical protein 0.0035 0.0024 0.0082
Echinococcus multilocularis 0.0045 0.0152 0.0128
Loa Loa (eye worm) TK/INSR protein kinase 0.0046 0.0171 0.0576
Loa Loa (eye worm) hypothetical protein 0.021 0.2331 0.7841
Trichomonas vaginalis DNA-3-methyladenine glycosylase, putative 0.0184 0.1991 1
Echinococcus granulosus insulin receptor 0.0046 0.0171 0.0498
Mycobacterium tuberculosis Probable DNA-3-methyladenine glycosylase I TagA (tag I) (3-methyladenine-DNA glycosylase I, constitutive) (DNA-3-methyladenine g 0.0091 0.0766 0.5
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.005 0.0222 0.067
Schistosoma mansoni tyrosine kinase 0.0046 0.0171 0.0285
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.005 0.0222 0.0369
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0074 0.0531 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.005 0.0222 0.489
Loa Loa (eye worm) hypothetical protein 0.0259 0.2972 1
Trichomonas vaginalis DNA-3-methyladenine glycosylase, putative 0.0184 0.1991 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.005 0.0222 0.489
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0054 0.0279 0.0863
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.021 0.2331 0.7841
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0066 0.0428 0.0405
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0066 0.0428 0.1166
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.005 0.0222 0.489
Loa Loa (eye worm) DOMON domain-containing protein 0.005 0.0214 0.0721
Schistosoma mansoni dopamine-beta-monooxygenase 0.049 0.602 1
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.005 0.0222 0.0198
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.005 0.0222 0.0747
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.021 0.2331 0.3872
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0066 0.0428 0.1441
Onchocerca volvulus 0.021 0.2331 1
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0078 0.0587 0.1908
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0066 0.0428 1
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0066 0.0428 0.137
Mycobacterium ulcerans DNA-3-methyladenine glycosylase I TagA 0.0184 0.1991 0.5
Loa Loa (eye worm) DOMON domain-containing protein 0.005 0.0214 0.0721
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0259 0.2972 1
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0259 0.2972 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.005 0.0222 0.0747
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0046 0.0171 0.0147
Brugia malayi DOMON domain containing protein 0.005 0.0214 0.0721
Echinococcus granulosus epidermal growth factor receptor 0.0078 0.0587 0.1908
Echinococcus multilocularis peptidyl glycine alpha amidating monooxygenase 0.0259 0.2972 0.2955
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0203 0.0683
Loa Loa (eye worm) phosphatidylinositol 3 0.005 0.0222 0.0747
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0203 0.0683
Schistosoma mansoni tyrosine kinase 0.0077 0.0576 0.0957
Schistosoma mansoni tyrosine kinase 0.0078 0.0587 0.0975
Brugia malayi Protein kinase domain containing protein 0.0046 0.0171 0.0576
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0054 0.0279 0.2767
Loa Loa (eye worm) phosphatidylinositol 3 0.021 0.2331 0.7841
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.005 0.0222 0.489
Loa Loa (eye worm) TK/EGFR protein kinase 0.0145 0.147 0.4946
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0203 0.0683
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0066 0.0428 0.0711
Echinococcus multilocularis epidermal growth factor receptor 0.0145 0.147 0.1449
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.005 0.0222 0.0369
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0066 0.0428 1
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.005 0.0222 0.067
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0066 0.0428 0.1441
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.005 0.0222 0.489
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.005 0.0222 0.0369
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0024 0.0041
Loa Loa (eye worm) hypothetical protein 0.0259 0.2972 1
Onchocerca volvulus 0.021 0.2331 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.021 0.2331 0.7841
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0128 0.1241 0.4176
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.005 0.0222 0.0198
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0066 0.0428 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0054 0.0279 0.0939
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0054 0.0279 0.2767
Loa Loa (eye worm) hypothetical protein 0.0049 0.0203 0.0683
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0054 0.0279 1
Brugia malayi DOMON domain containing protein 0.005 0.0214 0.0721
Schistosoma mansoni tyrosine kinase 0.0145 0.147 0.2442
Schistosoma mansoni tyrosine kinase 0.0077 0.0576 0.0957
Brugia malayi DOMON domain containing protein 0.005 0.0214 0.0721
Echinococcus granulosus epidermal growth factor receptor 0.0145 0.147 0.4904
Schistosoma mansoni tyrosine kinase 0.0078 0.0587 0.0975
Loa Loa (eye worm) hypothetical protein 0.005 0.0222 0.0747
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0066 0.0428 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0054 0.0279 0.2767
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0054 0.0279 1
Loa Loa (eye worm) phosphatidylinositol kinase 0.021 0.2331 0.7841
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.005 0.0222 0.1296
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0054 0.0279 0.0939
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.021 0.2331 0.2312
Schistosoma mansoni peptidyl-glycine monooxygenase 0.0259 0.2972 0.4938
Mycobacterium leprae PROBABLE DNA-3-METHYLADENINE GLYCOSYLASE I TAGA (TAG I) (3-methyladenine-DNA glycosylase I, constitutive) (DNA-3-methyladenine g 0.0091 0.0766 0.5
Brugia malayi Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein 0.0131 0.1292 0.4348
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.005 0.0222 0.0747
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.005 0.0222 0.067
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.005 0.0222 0.489
Echinococcus granulosus peptidyl glycine alpha amidating monooxygenase 0.0259 0.2972 1
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.021 0.2331 0.2312
Echinococcus multilocularis Zinc finger, PHD finger 0.005 0.0222 0.0198

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 22 % Immunomodulatory activity in C57BL/6 mouse assessed as lymphopenia at 10 mg/kg, po after 6 hrs by complete blood count analysis ChEMBL. 19282175

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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