Detailed information for compound 648601

Basic information

Technical information
  • TDR Targets ID: 648601
  • Name: [3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4 H-pyrazol-1-yl]-(3-hydroxyphenyl)methanone
  • MW: 356.34 | Formula: C17H19F3N2O3
  • H donors: 2 H acceptors: 3 LogP: 3.86 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1cccc(c1)C(=O)N1N=C(CC1(O)C(F)(F)F)C1CCCCC1
  • InChi: 1S/C17H19F3N2O3/c18-17(19,20)16(25)10-14(11-5-2-1-3-6-11)21-22(16)15(24)12-7-4-8-13(23)9-12/h4,7-9,11,23,25H,1-3,5-6,10H2
  • InChiKey: UINSWPPMZDEWKR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • STK026061
  • EU-0079263

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
Entamoeba histolytica hypothetical protein 0.009 0.083 0.9035
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.009 0.083 0.082
Brugia malayi Niemann-Pick C1 protein precursor 0.0097 0.091 0.0839
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0523 0.0385
Echinococcus multilocularis Niemann Pick C1 protein 0.0097 0.091 0.0868
Brugia malayi hypothetical protein 0.009 0.083 0.0758
Loa Loa (eye worm) hypothetical protein 0.0231 0.2423 0.2415
Echinococcus multilocularis Regulator of G protein signaling 20 0.009 0.083 0.0777
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.0284 0.0274
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0348 0.0245
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0211 0.0069
Echinococcus multilocularis axis inhibition protein axin 0.009 0.083 0.0777
Onchocerca volvulus 0.0048 0.0359 0.1199
Echinococcus granulosus expressed conserved protein 0.0091 0.0844 0.0805
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0078 0.1304
Toxoplasma gondii ABC1 family protein 0.0035 0.0211 0.1788
Echinococcus multilocularis regulator of G protein signaling 0.009 0.083 0.0777
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0078 0.1304
Brugia malayi Pre-SET motif family protein 0.0204 0.211 0.2048
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0348 0.0337
Mycobacterium ulcerans hypothetical protein 0.0023 0.0078 0.1304
Mycobacterium ulcerans hypothetical protein 0.0035 0.0211 0.3908
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0211 0.0134
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0078 0.033
Schistosoma mansoni regulator of G protein signaling 0.009 0.083 0.0697
Onchocerca volvulus 0.0035 0.0211 0.0567
Brugia malayi PXA domain containing protein 0.009 0.083 0.0758
Entamoeba histolytica hypothetical protein 0.009 0.083 0.9035
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.009 0.083 0.0777
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.009 0.083 0.0697
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0211 0.0896
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0284 0.0331
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.0523 1
Trichomonas vaginalis conserved hypothetical protein 0.009 0.083 0.2792
Loa Loa (eye worm) hypothetical protein 0.009 0.083 0.082
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0011 0.5
Brugia malayi PXA domain containing protein 0.009 0.083 0.0758
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0078 0.1304
Echinococcus multilocularis regulator of G protein signaling 7 0.009 0.083 0.0777
Echinococcus multilocularis beta adrenergic receptor kinase 0.0092 0.0854 0.0804
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0078 0.1304
Echinococcus multilocularis expressed conserved protein 0.0091 0.0844 0.0793
Trichomonas vaginalis conserved hypothetical protein 0.009 0.083 0.2792
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0348 0.0208
Echinococcus multilocularis Niemann Pick C1 protein 0.0139 0.1381 0.14
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0011 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0211 0.009
Echinococcus granulosus Niemann Pick C1 protein 0.0097 0.091 0.088
Onchocerca volvulus 0.0047 0.0346 0.1141
Schistosoma mansoni survival motor neuron protein 0.0047 0.0346 0.0206
Echinococcus granulosus Regulator of G protein signaling 20 0.009 0.083 0.0789
Loa Loa (eye worm) hypothetical protein 0.0097 0.091 0.09
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0063 0.0523 0.2222
Brugia malayi hypothetical protein 0.009 0.083 0.0758
Loa Loa (eye worm) hypothetical protein 0.0051 0.039 0.038
Echinococcus granulosus regulator of G protein signaling 7 0.009 0.083 0.0789
Brugia malayi A-kinase anchor protein 10, precursor 0.009 0.083 0.0758
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0211 1
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0092 0.0854 0.0844
Loa Loa (eye worm) hypothetical protein 0.0035 0.0211 0.02
Mycobacterium tuberculosis Conserved protein 0.0035 0.0211 0.0896
Echinococcus granulosus Niemann Pick C1 protein 0.0139 0.1381 0.1412
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0348 0.0245
Onchocerca volvulus 0.0029 0.0143 0.0278
Loa Loa (eye worm) PXA domain-containing protein 0.009 0.083 0.082
Loa Loa (eye worm) hypothetical protein 0.0029 0.0143 0.0132
Echinococcus granulosus regulator of G protein signaling 7 0.009 0.083 0.0789
Brugia malayi Regulator of G protein signaling domain containing protein 0.009 0.083 0.0758
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0204 0.211 0.2102
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0348 0.0208
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0078 0.1304
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0211 0.5
Schistosoma mansoni regulator of G protein signaling 0.009 0.083 0.0697
Brugia malayi beta-lactamase family protein 0.0035 0.0211 0.0134
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0211 0.0896
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0813 0.8984 0.8983
Schistosoma mansoni hypothetical protein 0.004 0.0267 0.0126
Echinococcus multilocularis G protein coupled receptor kinase 6 0.0813 0.8984 1
Schistosoma mansoni patched 1 0.0042 0.0284 0.0143
Loa Loa (eye worm) hypothetical protein 0.0035 0.0211 0.02
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0211 0.0896
Echinococcus multilocularis geminin 0.0166 0.1683 0.1742
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.0523 0.0443
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0143 0.0014
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0346 0.027
Echinococcus multilocularis regulator of G protein signaling 7 0.009 0.083 0.0777
Onchocerca volvulus 0.0035 0.0211 0.0567
Schistosoma mansoni regulator of G protein signaling 0.009 0.083 0.0697
Onchocerca volvulus 0.0149 0.1496 0.6038
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.0284 0.016
Echinococcus granulosus beta-adrenergic receptor kinase 0.0092 0.0854 0.0817
Mycobacterium ulcerans beta-lactamase 0.0035 0.0211 0.3908
Mycobacterium leprae Probable lipase LipE 0.0035 0.0211 1
Schistosoma mansoni hypothetical protein 0.0047 0.0346 0.0206
Brugia malayi hypothetical protein 0.0231 0.2423 0.2364
Schistosoma mansoni serine/threonine protein kinase 0.0903 1 1
Brugia malayi hypothetical protein 0.0149 0.1496 0.143
Trichomonas vaginalis conserved hypothetical protein 0.009 0.083 0.2792
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0078 0.1304
Brugia malayi beta-lactamase 0.0035 0.0211 0.0134
Schistosoma mansoni axis inhibition protein axin 0.009 0.083 0.0697
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0903 1 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0211 0.0896
Echinococcus multilocularis tumor protein p63 0.033 0.3542 0.3845
Schistosoma mansoni hypothetical protein 0.004 0.0267 0.0126
Schistosoma mansoni serine/threonine protein kinase 0.0092 0.0854 0.0722
Schistosoma mansoni serine/threonine protein kinase 0.0092 0.0854 0.0722
Loa Loa (eye worm) hypothetical protein 0.009 0.083 0.082
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.0523 1
Loa Loa (eye worm) hypothetical protein 0.009 0.083 0.082
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0211 1
Brugia malayi Regulator of G protein signaling domain containing protein 0.009 0.083 0.0758
Trichomonas vaginalis conserved hypothetical protein 0.009 0.083 0.2792
Brugia malayi regulator of G-protein signaling rgs-7 0.009 0.083 0.0758
Brugia malayi regulator of G-protein signaling egl-10 0.009 0.083 0.0758
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0211 0.0896
Echinococcus granulosus expressed protein 0.009 0.083 0.0789
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0359 0.0219
Echinococcus multilocularis expressed protein 0.009 0.083 0.0777
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0348 0.0208
Loa Loa (eye worm) hypothetical protein 0.0048 0.0359 0.0349
Loa Loa (eye worm) hypothetical protein 0.0149 0.1496 0.1487
Trichomonas vaginalis set domain proteins, putative 0.0232 0.2427 1
Schistosoma mansoni regulator of G protein signaling 0.009 0.083 0.0697
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0211 0.0896
Trichomonas vaginalis conserved hypothetical protein 0.009 0.083 0.2792
Loa Loa (eye worm) hypothetical protein 0.0042 0.0284 0.0274
Schistosoma mansoni hypothetical protein 0.0166 0.1683 0.1563
Mycobacterium tuberculosis Conserved protein 0.0035 0.0211 0.0896
Echinococcus granulosus survival motor neuron protein 1 0.0231 0.2423 0.2589
Mycobacterium ulcerans lipase LipD 0.0035 0.0211 0.3908
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0523 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0211 0.3908
Trichomonas vaginalis conserved hypothetical protein 0.009 0.083 0.2792
Loa Loa (eye worm) hypothetical protein 0.009 0.083 0.082
Echinococcus granulosus Protein patched homolog 1 0.0042 0.0284 0.0173
Echinococcus granulosus axis inhibition protein axin 0.009 0.083 0.0789
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0348 0.0232
Echinococcus multilocularis protein patched 0.0042 0.0284 0.016
Echinococcus multilocularis survival motor neuron protein 1 0.0231 0.2423 0.2579
Schistosoma mansoni hypothetical protein 0.004 0.0267 0.0126
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0523 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0348 0.0232
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0211 0.3908
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.009 0.083 0.0789
Loa Loa (eye worm) hypothetical protein 0.0035 0.0211 0.02
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0211 0.0896
Loa Loa (eye worm) hypothetical protein 0.0035 0.0211 0.02
Loa Loa (eye worm) hypothetical protein 0.0023 0.0078 0.0067
Plasmodium vivax SET domain protein, putative 0.0029 0.0143 0.6605
Schistosoma mansoni regulator of G protein signaling 0.009 0.083 0.0697
Echinococcus granulosus geminin 0.0166 0.1683 0.1754
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0211 0.02
Schistosoma mansoni axis inhibition protein axin 0.009 0.083 0.0697
Onchocerca volvulus 0.0232 0.2427 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0211 0.02
Schistosoma mansoni z-protein (S1r protein) 0.009 0.083 0.0697
Loa Loa (eye worm) hypothetical protein 0.0023 0.0078 0.0067
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0099 0.0927 0.0795
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0211 0.0077
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0523 1
Loa Loa (eye worm) RGS-3 protein 0.009 0.083 0.082
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0813 0.8984 0.8976
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0011 0.0046
Echinococcus granulosus regulator of G protein signaling 3 0.009 0.083 0.0789
Schistosoma mansoni hypothetical protein 0.004 0.0267 0.0126
Brugia malayi Pre-SET motif family protein 0.0029 0.0143 0.0066
Echinococcus multilocularis regulator of G protein signaling 3 0.009 0.083 0.0777
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0225 0.2352 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.0523 0.0429
Loa Loa (eye worm) hypothetical protein 0.009 0.083 0.082
Loa Loa (eye worm) hypothetical protein 0.0023 0.0078 0.0067
Echinococcus multilocularis protein dispatched 1 0.0048 0.0351 0.0235
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0211 0.5
Entamoeba histolytica hypothetical protein 0.009 0.083 0.9035
Loa Loa (eye worm) hypothetical protein 0.009 0.083 0.082
Loa Loa (eye worm) hypothetical protein 0.0035 0.0211 0.02
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0078 0.1304
Echinococcus multilocularis regulator of G protein signaling 3 0.009 0.083 0.0777
Echinococcus multilocularis axis inhibition protein axin 0.009 0.083 0.0777
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.009 0.083 0.0697
Onchocerca volvulus 0.0035 0.0211 0.0567
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.009 0.083 0.0697
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.08 0.8845 0.9843
Brugia malayi CHE-14 protein 0.0042 0.0284 0.0208
Loa Loa (eye worm) G protein-coupled receptor kinase 1 0.0813 0.8984 0.8983
Brugia malayi beta-lactamase family protein 0.0035 0.0211 0.0134
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0078 0.033
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0523 0.0385
Echinococcus granulosus tumor protein p63 0.033 0.3542 0.3853
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0211 0.0069
Echinococcus granulosus regulator of G protein signaling 3 0.009 0.083 0.0789
Leishmania major hypothetical protein, conserved 0.0035 0.0211 0.2994
Schistosoma mansoni hypothetical protein 0.0166 0.1683 0.1563
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0097 0.091 1
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.009 0.083 0.2792
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0211 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0348 0.0272
Echinococcus granulosus [G-protein-coupledreceptor] kinase 0.0813 0.8984 1
Loa Loa (eye worm) beta-lactamase 0.0035 0.0211 0.02
Mycobacterium tuberculosis Conserved protein 0.0035 0.0211 0.0896
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.0284 0.0173
Echinococcus granulosus axis inhibition protein axin 0.009 0.083 0.0789

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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