Detailed information for compound 1409250

Basic information

Technical information
  • TDR Targets ID: 1409250
  • Name: 1-(piperidinocarbonyl)-9H-fluoren-9-one
  • MW: 291.344 | Formula: C19H17NO2
  • H donors: 0 H acceptors: 2 LogP: 3.37 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccc2c1C(=O)c1c2cccc1)N1CCCCC1
  • InChi: 1S/C19H17NO2/c21-18-15-8-3-2-7-13(15)14-9-6-10-16(17(14)18)19(22)20-11-4-1-5-12-20/h2-3,6-10H,1,4-5,11-12H2
  • InChiKey: GISDAUOOURFAPH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • MLS000851151
  • SMR000457394
  • ZINC00135074
  • Oprea1_672099
  • BTB 13169

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens galactosidase, alpha Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis Glycoside hydrolase, family 27 Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum expressed protein Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Brugia malayi Melibiase family protein Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum Alpha-N-acetylgalactosaminidase precursor, putative Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Toxoplasma gondii melibiase subfamily protein Get druggable targets OG5_127620 All targets in OG5_127620
Neospora caninum hypothetical protein Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus multilocularis Alpha N acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum Alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum Alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus granulosus Alpha N acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum Alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum ko:K01204 alpha-N-acetylgalactosaminidase [EC3.2.1.49], putative Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
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 hypothetical protein 0.0008 0.0084 0.0124
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0082 0.4363 1
Echinococcus granulosus Immunoglobulin 0.0018 0.0644 0.0564
Loa Loa (eye worm) AUR protein kinase 0.0065 0.336 0.3304
Toxoplasma gondii Alpha-galactosidase 0.0018 0.0622 0.0809
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0008 0.0084 0.5
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0008 0.0084 0.5
Loa Loa (eye worm) AUR protein kinase 0.0065 0.336 0.3304
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0065 0.336 0.5
Trichomonas vaginalis AGC family protein kinase 0.0065 0.336 0.7648
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.004 0.1902 0.423
Echinococcus granulosus voltage gated potassium channel 0.0012 0.0323 0.0242
Brugia malayi serine/threonine kinase 12 0.0065 0.336 0.3304
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0065 0.336 0.5
Schistosoma mansoni nephrin 0.0018 0.0644 0.0956
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0043 0.2063 0.1996
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0008 0.0084 0.5
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0008 0.0084 0.5
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0008 0.0084 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.004 0.1902 0.423
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0008 0.0098 0.0146
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0008 0.0084 0.5
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0008 0.0084 0.5
Loa Loa (eye worm) hypothetical protein 0.0018 0.0644 0.0564
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0008 0.0084 0.5
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0008 0.0084 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0008 0.0098 0.0146
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0008 0.0084 0.5
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0008 0.0084 0.5
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0008 0.0084 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.1351 0.1278
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0008 0.0084 0.5
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0008 0.0084 0.5
Echinococcus granulosus muscleblind protein 0.018 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0323 0.048
Brugia malayi serine/threonine protein kinase 6 0.0065 0.336 0.3304
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0008 0.0084 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0046 0.2288 0.3397
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.6735 1
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0008 0.0084 0.5
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0018 0.0644 0.0956
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0065 0.336 0.5
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0008 0.0084 0.5
Echinococcus granulosus defective proboscis extension response 0.0018 0.0644 0.0564
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0008 0.0098 0.0146
Loa Loa (eye worm) hypothetical protein 0.0037 0.174 0.167
Echinococcus multilocularis muscleblind protein 1 0.018 1 1
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0008 0.0098 0.0015
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0008 0.0084 0.5
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0008 0.0098 0.0015
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0008 0.0098 0.0015
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.6735 1
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0008 0.0098 0.0015
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0018 0.0644 0.0564
Brugia malayi Cyclic-nucleotide gated cation channel 0.0008 0.0098 0.0015
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0008 0.0084 0.5
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0008 0.0084 0.5
Loa Loa (eye worm) hypothetical protein 0.0018 0.0644 0.0564
Echinococcus multilocularis hyperpolarization activated cyclic 0.0008 0.0098 0.0015
Echinococcus granulosus twitchin 0.0018 0.0674 0.0595
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0008 0.0084 0.5
Toxoplasma gondii aurora kinase 0.0065 0.336 0.4925
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0008 0.0084 0.5
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0018 0.0644 0.0564
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0008 0.0084 0.5
Entamoeba histolytica protein kinase, putative 0.0065 0.336 0.5
Loa Loa (eye worm) hypothetical protein 0.0082 0.4363 0.4315
Schistosoma mansoni protein kinase 0.0065 0.336 0.4988
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0008 0.0084 0.5
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0124 0.6735 0.6708
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0008 0.0084 0.5
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0008 0.0084 0.5
Echinococcus multilocularis voltage gated potassium channel 0.0012 0.0323 0.0242
Toxoplasma gondii melibiase subfamily protein 0.0124 0.6735 1
Entamoeba histolytica protein kinase , putative 0.0065 0.336 0.5
Loa Loa (eye worm) TK/KIN16 protein kinase 0.002 0.0737 0.0659
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0008 0.0084 0.5
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.6735 1
Echinococcus multilocularis roundabout 2 0.0018 0.0644 0.0564
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0008 0.0084 0.5
Brugia malayi Cytochrome P450 family protein 0.003 0.1351 0.1278
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0065 0.336 0.3304
Schistosoma mansoni cytochrome P450 0.0008 0.0084 0.0124
Loa Loa (eye worm) hypothetical protein 0.0018 0.0644 0.0564
Loa Loa (eye worm) hypothetical protein 0.018 1 1
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0008 0.0084 0.5
Loa Loa (eye worm) hypothetical protein 0.0018 0.0644 0.0564
Schistosoma mansoni serine/threonine protein kinase 0.0065 0.336 0.4988
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0008 0.0084 0.5
Echinococcus granulosus hyperpolarization activated cyclic 0.0008 0.0098 0.0015
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.6735 1
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0008 0.0098 0.0015
Giardia lamblia Aurora kinase 0.0065 0.336 0.5
Echinococcus multilocularis neuroglian 0.0018 0.0644 0.0564
Echinococcus granulosus roundabout 2 0.0018 0.0644 0.0564
Schistosoma mansoni voltage-gated potassium channel 0.0046 0.2288 0.3397
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0008 0.0084 0.5
Echinococcus multilocularis hyperpolarization activated cyclic 0.0008 0.0098 0.0015
Trypanosoma cruzi aurora B kinase, putative 0.0065 0.336 1
Brugia malayi hypothetical protein 0.0018 0.0644 0.0564
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0065 0.336 0.5
Loa Loa (eye worm) hypothetical protein 0.0018 0.0644 0.0564
Loa Loa (eye worm) hypothetical protein 0.0018 0.0644 0.0564
Brugia malayi Immunoglobulin I-set domain containing protein 0.002 0.0737 0.0659
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0082 0.4363 0.6477
Echinococcus multilocularis Immunoglobulin 0.0018 0.0644 0.0564
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0012 0.0323 0.0242
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0082 0.4363 0.6477
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0043 0.2063 0.1996
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0008 0.0084 0.5
Loa Loa (eye worm) AUR protein kinase 0.0065 0.336 0.3304
Loa Loa (eye worm) hypothetical protein 0.0018 0.0644 0.0564
Echinococcus granulosus neuroglian 0.0018 0.0644 0.0564
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0008 0.0098 0.0015
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0008 0.0084 0.5
Echinococcus multilocularis Immunoglobulin 0.0018 0.0644 0.0564
Entamoeba histolytica protein kinase domain containing protein 0.0065 0.336 0.5
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0065 0.336 0.3304
Brugia malayi Immunoglobulin I-set domain containing protein 0.0018 0.0644 0.0564
Plasmodium falciparum serine/threonine protein kinase, putative 0.0065 0.336 0.5
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0043 0.2063 0.1996
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0124 0.6735 0.6708
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0008 0.0098 0.0015
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0008 0.0098 0.0146
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0008 0.0084 0.5
Loa Loa (eye worm) hypothetical protein 0.0018 0.0644 0.0564
Loa Loa (eye worm) hypothetical protein 0.0012 0.0323 0.0242
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0008 0.0084 0.5
Echinococcus granulosus hyperpolarization activated cyclic 0.0008 0.0098 0.0015
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0008 0.0084 0.5
Trypanosoma brucei aurora B kinase 0.0065 0.336 1
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0012 0.0323 0.0242
Loa Loa (eye worm) hypothetical protein 0.0008 0.0098 0.0015
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0008 0.0084 0.5
Echinococcus multilocularis aurora kinase A 0.0065 0.336 0.3304
Brugia malayi Melibiase family protein 0.0082 0.4363 0.4315
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0124 0.6735 0.6708
Echinococcus multilocularis muscleblind protein 0.018 1 1
Mycobacterium leprae Conserved hypothetical protein 0.0008 0.0084 0.5
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0043 0.2063 0.1996
Trichomonas vaginalis AGC family protein kinase 0.0065 0.336 0.7648
Mycobacterium leprae putative cytochrome p450 0.0008 0.0084 0.5
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0008 0.0084 0.5
Schistosoma mansoni vesicular amine transporter 0.0021 0.0805 0.1195
Trichomonas vaginalis AGC family protein kinase 0.0065 0.336 0.7648
Echinococcus granulosus aurora kinase A 0.0065 0.336 0.3304
Schistosoma mansoni cell adhesion molecule 0.0018 0.0644 0.0956
Loa Loa (eye worm) hypothetical protein 0.0018 0.0644 0.0564
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0018 0.0644 0.0956
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0008 0.0084 0.5
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0008 0.0084 0.5
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0018 0.0622 0.0923
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0008 0.0098 0.0015
Leishmania major protein kinase, putative 0.0065 0.336 1
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0323 0.048
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0008 0.0084 0.5
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0008 0.0098 0.0146
Entamoeba histolytica protein kinase, putative 0.0065 0.336 0.5
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0012 0.0323 0.0242
Trichomonas vaginalis AGC family protein kinase 0.0065 0.336 0.7648
Brugia malayi Fibronectin type III domain containing protein 0.0018 0.0644 0.0564
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0008 0.0098 0.0146
Brugia malayi serine/threonine-protein kinase 6 0.0065 0.336 0.3304
Loa Loa (eye worm) hypothetical protein 0.018 1 1
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0008 0.0098 0.0015

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Galactosidase From Spleen Homogenate. (Class of assay: confirmatory) [Related pubchem assays: 1472, 1467 ] ChEMBL. No reference
Potency (binding) 10 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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