Detailed information for compound 806974

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 533.559 | Formula: C27H26F3NO5S
  • H donors: 0 H acceptors: 2 LogP: 5.2 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: Cc1ccccc1c1cc(OC2COCC2)c2c(c1)CN(CCO2)S(=O)(=O)c1ccccc1C(F)(F)F
  • InChi: 1S/C27H26F3NO5S/c1-18-6-2-3-7-22(18)19-14-20-16-31(37(32,33)25-9-5-4-8-23(25)27(28,29)30)11-13-35-26(20)24(15-19)36-21-10-12-34-17-21/h2-9,14-15,21H,10-13,16-17H2,1H3
  • InChiKey: BSPLBAIKEHXDRE-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
Loa Loa (eye worm) AUR protein kinase 0.0488 0.1497 0.2176
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0488 0.1497 0.2159
Loa Loa (eye worm) hypothetical protein 0.0247 0.0691 0.1004
Entamoeba histolytica protein kinase , putative 0.0488 0.1497 1
Echinococcus multilocularis cyclin dependent kinase 1 0.005 0.003 0.0023
Echinococcus granulosus o acyltransferase membrane bound domain 0.0092 0.0169 0.0227
Loa Loa (eye worm) MBOAT family protein 0.0092 0.0169 0.0245
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0488 0.1497 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.005 0.003 0.0044
Loa Loa (eye worm) AUR protein kinase 0.0488 0.1497 0.2176
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0092 0.0169 0.0225
Brugia malayi MBOAT family protein 0.0092 0.0169 0.0202
Trichomonas vaginalis CMGC family protein kinase 0.0067 0.0086 0.0383
Toxoplasma gondii eukaryotic initiation factor-2B, gamma subunit, putative 0.0554 0.1721 1
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0092 0.0169 0.0945
Echinococcus granulosus roundabout 2 0.0045 0.0014 0.0002
Loa Loa (eye worm) hypothetical protein 0.0938 0.3006 0.4369
Echinococcus multilocularis cyclin dependent kinase 1 0.005 0.003 0.0023
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0488 0.1497 1
Onchocerca volvulus Tyrosine kinase homolog 0.045 0.1371 1
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0092 0.0169 0.0225
Schistosoma mansoni tyrosine kinase 0.2093 0.6882 1
Echinococcus granulosus cyclin dependent kinase 5 0.005 0.003 0.0025
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0901 0.2885 1
Trypanosoma cruzi GUP1, putative 0.0092 0.0169 0.0486
Brugia malayi Protein kinase domain containing protein 0.0095 0.018 0.0218
Trypanosoma cruzi GUP1, putative 0.0092 0.0169 0.0486
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0092 0.0169 0.082
Trichomonas vaginalis AGC family protein kinase 0.0488 0.1497 1
Loa Loa (eye worm) TK/EGFR protein kinase 0.2093 0.6882 1
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0067 0.0086 0.0197
Trichomonas vaginalis transmembrane protein nessy, putative 0.0092 0.0169 0.0945
Echinococcus granulosus mitogen activated protein kinase 14 0.0901 0.2885 0.4181
Loa Loa (eye worm) TK/INSR protein kinase 0.0888 0.2841 0.4128
Entamoeba histolytica protein kinase, putative 0.0488 0.1497 1
Trypanosoma brucei glycerol uptake protein, putative 0.0092 0.0169 0.0486
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0488 0.1497 0.2161
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0092 0.0169 0.0945
Plasmodium vivax serine/threonine kinase-1, putative 0.0067 0.0086 0.0383
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0092 0.0169 0.0202
Trichomonas vaginalis conserved hypothetical protein 0.0092 0.0169 0.0945
Schistosoma mansoni tyrosine kinase 0.1179 0.3817 0.5527
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0067 0.0086 0.0197
Schistosoma mansoni serine/threonine protein kinase 0.0095 0.018 0.0218
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0092 0.0169 0.082
Echinococcus granulosus epidermal growth factor receptor 0.2093 0.6882 1
Echinococcus multilocularis epidermal growth factor receptor 0.2093 0.6882 1
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.0092 0.0169 0.0227
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0092 0.0169 0.0945
Trichomonas vaginalis AGC family protein kinase 0.0488 0.1497 1
Schistosoma mansoni zinc finger protein 0.0092 0.0169 0.0202
Brugia malayi P38 map kinase family protein 2 0.0901 0.2885 0.4166
Schistosoma mansoni tyrosine kinase 0.1164 0.3764 0.545
Leishmania major glycerol uptake protein, putative 0.0092 0.0169 0.0486
Loa Loa (eye worm) hypothetical protein 0.0092 0.0169 0.0245
Trypanosoma brucei glycerol uptake protein, putative 0.0092 0.0169 0.0486
Echinococcus granulosus mitogen activated protein kinase 11 0.0901 0.2885 0.4181
Entamoeba histolytica protein kinase, putative 0.0095 0.018 0.1018
Echinococcus granulosus epidermal growth factor receptor 0.1179 0.3817 0.5539
Entamoeba histolytica vacuolar protein sorting 26 0.0092 0.0169 0.0945
Trypanosoma brucei aurora B kinase 0.0488 0.1497 0.5139
Loa Loa (eye worm) MBOAT family protein 0.0092 0.0169 0.0245
Echinococcus multilocularis 0.0644 0.2023 0.2925
Echinococcus multilocularis aurora kinase A 0.0488 0.1497 0.2159
Entamoeba histolytica protein kinase domain containing protein 0.0095 0.018 0.1018
Trichomonas vaginalis AGC family protein kinase 0.0488 0.1497 1
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0092 0.0169 0.0945
Brugia malayi Protein kinase domain containing protein 0.0155 0.038 0.0511
Loa Loa (eye worm) hypothetical protein 0.0118 0.0259 0.0376
Schistosoma mansoni protein kinase 0.0488 0.1497 0.2141
Echinococcus granulosus cyclin dependent kinase 0.005 0.003 0.0025
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0092 0.0169 0.0225
Loa Loa (eye worm) hypothetical protein 0.0045 0.0014 0.0021
Echinococcus multilocularis insulin receptor 0.0888 0.2841 0.4116
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0888 0.2841 0.4117
Trypanosoma cruzi glycerol uptake protein, putative 0.0092 0.0169 0.0486
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.1179 0.3817 0.5539
Brugia malayi MBOAT family protein 0.0092 0.0169 0.0202
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0067 0.0086 0.0197
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0095 0.018 0.0523
Echinococcus multilocularis epidermal growth factor receptor 0.1179 0.3817 0.5538
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0092 0.0169 0.0202
Brugia malayi Protein kinase domain containing protein 0.0067 0.0086 0.0082
Echinococcus multilocularis cyclin dependent kinase 5 0.005 0.003 0.0023
Schistosoma mansoni cyclin-dependent kinase 5 activator 0.0247 0.0691 0.0964
Echinococcus multilocularis mitogen activated protein kinase 14 0.0901 0.2885 0.418
Leishmania major protein kinase, putative 0.0488 0.1497 0.5139
Loa Loa (eye worm) hypothetical protein 0.0086 0.0149 0.0217
Trypanosoma cruzi glycerol uptake protein, putative 0.0092 0.0169 0.0486
Echinococcus multilocularis dual specificity protein kinase clk2 0.0067 0.0086 0.0105
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0092 0.0169 0.0225
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0092 0.0169 0.0227
Schistosoma mansoni tyrosine kinase 0.1179 0.3817 0.5527
Brugia malayi MBOAT family protein 0.0092 0.0169 0.0202
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0092 0.0169 0.0202
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0092 0.0169 0.0225
Brugia malayi Hhat protein 0.0092 0.0169 0.0202
Brugia malayi serine/threonine kinase 12 0.0488 0.1497 0.2141
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0092 0.0169 0.0245
Echinococcus granulosus cyclin dependent kinase 5 activator 1 0.0247 0.0691 0.0987
Entamoeba histolytica hypothetical protein 0.0092 0.0169 0.0945
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0067 0.0086 0.0197
Toxoplasma gondii aurora kinase 0.0488 0.1497 0.8678
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0067 0.0086 0.0197
Loa Loa (eye worm) hypothetical protein 0.0058 0.0056 0.0082
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0092 0.0169 0.0202
Leishmania major glycerol uptake protein, putative 0.0092 0.0169 0.0486
Loa Loa (eye worm) hypothetical protein 0.0118 0.0259 0.0376
Leishmania major hypothetical protein, conserved 0.0092 0.0169 0.0486
Echinococcus multilocularis sterol O acyltransferase 1 0.0938 0.3006 0.4357
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0092 0.0169 0.0225
Loa Loa (eye worm) AUR protein kinase 0.0488 0.1497 0.2176
Echinococcus multilocularis dual specificity 0.0095 0.018 0.0241
Trichomonas vaginalis porcupine, putative 0.0092 0.0169 0.0945
Trichomonas vaginalis AGC family protein kinase 0.0488 0.1497 1
Echinococcus granulosus dual specificity protein kinase clk2 0.0067 0.0086 0.0107
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0067 0.0086 0.0332
Schistosoma mansoni hypothetical protein 0.0092 0.0169 0.0202
Echinococcus granulosus o acyltransferase membrane bound domain 0.0092 0.0169 0.0227
Echinococcus multilocularis mitogen activated protein kinase 11 0.0901 0.2885 0.418
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0092 0.0169 0.0202
Echinococcus granulosus insulin receptor 0.0888 0.2841 0.4117
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.005 0.003 0.0044
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.0092 0.0169 0.0225
Giardia lamblia Aurora kinase 0.0488 0.1497 1
Echinococcus multilocularis cyclin dependent kinase 5 activator 1 0.0247 0.0691 0.0985
Brugia malayi hypothetical protein 0.0118 0.0259 0.0333
Brugia malayi Immunoglobulin I-set domain containing protein 0.0481 0.1474 0.2107
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0067 0.0086 0.0125
Mycobacterium ulcerans bifunctional N-acetylglucosamine-1-phosphate uridyltransferase/glucosamine-1-phosphate acetyltransferase 0.3023 1 1
Leishmania major glycerol uptake protein, putative 0.0092 0.0169 0.0486
Loa Loa (eye worm) hypothetical protein 0.0139 0.0327 0.0475
Loa Loa (eye worm) hypothetical protein 0.0045 0.0014 0.0021
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU 0.3023 1 1
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0901 0.2885 0.4192
Schistosoma mansoni tyrosine kinase 0.1164 0.3764 0.545
Leishmania major protein kinase, putative 0.0067 0.0086 0.0197
Loa Loa (eye worm) hypothetical protein 0.0086 0.0149 0.0217
Trichomonas vaginalis conserved hypothetical protein 0.0092 0.0169 0.0945
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0092 0.0169 0.0225
Plasmodium falciparum protein serine/threonine kinase-1 0.0067 0.0086 0.0383
Entamoeba histolytica protein kinase, putative 0.0095 0.018 0.1018
Leishmania major glycerol uptake protein, putative 0.0092 0.0169 0.0486
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0901 0.2885 1
Schistosoma mansoni serine/threonine protein kinase 0.0488 0.1497 0.2141
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0888 0.2841 0.4116
Brugia malayi MBOAT family protein 0.0092 0.0169 0.0202
Leishmania major glycerol uptake protein, putative 0.0092 0.0169 0.0486
Echinococcus granulosus o acyltransferase membrane bound domain 0.0092 0.0169 0.0227
Schistosoma mansoni sterol O-acyltransferase 1 0.0938 0.3006 0.4344
Entamoeba histolytica hypothetical protein, conserved 0.0092 0.0169 0.0945
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.3023 1 0.5
Toxoplasma gondii hypothetical protein 0.0092 0.0169 0.082
Brugia malayi Furin-like cysteine rich region family protein 0.2093 0.6882 1
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0092 0.0169 0.0202
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0092 0.0169 0.0227
Echinococcus multilocularis 0.0058 0.0056 0.0061
Schistosoma mansoni serine/threonine protein kinase 0.0067 0.0086 0.0082
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0092 0.0169 0.0227
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0092 0.0169 0.0945
Echinococcus granulosus dual specificity 0.0095 0.018 0.0242
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0488 0.1497 1
Echinococcus granulosus hypothetical protein 0.0058 0.0056 0.0063
Echinococcus granulosus sterol O acyltransferase 1 0.0938 0.3006 0.4358
Loa Loa (eye worm) hypothetical protein 0.0092 0.0169 0.0245
Plasmodium falciparum serine/threonine protein kinase, putative 0.0488 0.1497 1
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0092 0.0169 0.0245
Loa Loa (eye worm) hypothetical protein 0.0846 0.2699 0.3922
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.005 0.003 0.0025
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0067 0.0086 0.0197
Brugia malayi MBOAT family protein 0.0092 0.0169 0.0202
Loa Loa (eye worm) hhat protein 0.0092 0.0169 0.0245
Leishmania major protein kinase, putative 0.0067 0.0086 0.0197
Schistosoma mansoni tyrosine kinase 0.0888 0.2841 0.4102
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0095 0.018 0.0523
Schistosoma mansoni tyrosine kinase 0.1164 0.3764 0.545
Entamoeba histolytica protein kinase domain containing protein 0.0488 0.1497 1
Brugia malayi serine/threonine protein kinase 6 0.0488 0.1497 0.2141
Echinococcus multilocularis mitogen activated protein kinase 14 0.0901 0.2885 0.418
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0488 0.1497 1
Trypanosoma cruzi glycerol uptake protein, putative 0.0092 0.0169 0.0486
Onchocerca volvulus 0.0427 0.1293 0.9352
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.0901 0.2885 1
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0095 0.018 0.0523
Trichomonas vaginalis conserved hypothetical protein 0.0092 0.0169 0.0945
Loa Loa (eye worm) hhat protein 0.0092 0.0169 0.0245
Echinococcus multilocularis cyclin dependent kinase 0.005 0.003 0.0023
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0901 0.2885 1
Giardia lamblia Kinase, CMGC CLK 0.0067 0.0086 0.0383
Loa Loa (eye worm) hypothetical protein 0.0092 0.0169 0.0245
Trypanosoma cruzi aurora B kinase, putative 0.0488 0.1497 0.5139
Echinococcus multilocularis mitogen activated protein kinase 11 0.0901 0.2885 0.418
Entamoeba histolytica protein kinase, putative 0.0488 0.1497 1
Schistosoma mansoni serine/threonine protein kinase 0.0067 0.0086 0.0082
Schistosoma mansoni tyrosine kinase 0.0888 0.2841 0.4102
Brugia malayi Protein kinase domain containing protein 0.0888 0.2841 0.4102
Entamoeba histolytica hypothetical protein 0.0095 0.018 0.1018
Echinococcus granulosus cyclin dependent kinase 1 0.005 0.003 0.0025
Brugia malayi diacylglycerol acyltransferase 0.0092 0.0169 0.0202
Loa Loa (eye worm) MBOAT family protein 0.0092 0.0169 0.0245
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0481 0.1474 0.2142
Echinococcus granulosus aurora kinase A 0.0488 0.1497 0.2161
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.005 0.003 0.0044
Treponema pallidum licC protein (licC) 0.0554 0.1721 1
Brugia malayi serine/threonine-protein kinase 6 0.0488 0.1497 0.2141
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0095 0.018 0.0523
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0095 0.018 0.0261
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0092 0.0169 0.0227

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.
 
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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