Detailed information for compound 1341259

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 280.336 | Formula: C19H17FO
  • H donors: 0 H acceptors: 1 LogP: 3.93 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1C[C@@H](CC(=C1)c1ccc(cc1)C)c1ccc(cc1)F
  • InChi: 1S/C19H17FO/c1-13-2-4-14(5-3-13)16-10-17(12-19(21)11-16)15-6-8-18(20)9-7-15/h2-9,11,17H,10,12H2,1H3/t17-/m1/s1
  • InChiKey: MKDALIAXXUBZFS-QGZVFWFLSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Echinococcus multilocularis GPCR, family 2 0.0342 0.2953 0.8541
Brugia malayi TAR-binding protein 0.0395 0.3456 0.3456
Leishmania major hypothetical protein, conserved 0.005 0.017 1
Brugia malayi MH2 domain containing protein 0.0033 0.0008 0.0008
Echinococcus multilocularis isocitrate dehydrogenase 0.0034 0.0011 0.001
Brugia malayi Latrophilin receptor protein 2 0.0342 0.2953 0.2953
Schistosoma mansoni hypothetical protein 0.0342 0.2953 0.4376
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1081 1 1
Brugia malayi MH2 domain containing protein 0.0033 0.0008 0.0008
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0034 0.0011 0.0005
Loa Loa (eye worm) hypothetical protein 0.0739 0.6738 0.6736
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0034 0.0011 0.5
Brugia malayi hypothetical protein 0.009 0.0546 0.0546
Schistosoma mansoni tar DNA-binding protein 0.0395 0.3456 0.5123
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0034 0.0011 0.001
Schistosoma mansoni tar DNA-binding protein 0.0395 0.3456 0.5123
Brugia malayi MH1 domain containing protein 0.0033 0.0008 0.0008
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.0011 0.001
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0342 0.2953 0.8541
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0034 0.0011 0.001
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0395 0.3456 0.3451
Loa Loa (eye worm) TAR-binding protein 0.0395 0.3456 0.3451
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0342 0.2953 0.8541
Loa Loa (eye worm) MH2 domain-containing protein 0.0488 0.4343 0.4339
Loa Loa (eye worm) hypothetical protein 0.009 0.0546 0.0539
Schistosoma mansoni tar DNA-binding protein 0.0395 0.3456 0.5123
Brugia malayi Isocitrate dehydrogenase 0.0034 0.0011 0.0011
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0342 0.2953 0.8541
Brugia malayi Calcitonin receptor-like protein seb-1 0.1081 1 1
Echinococcus granulosus GPCR family 2 0.0342 0.2953 0.8541
Brugia malayi RNA binding protein 0.0395 0.3456 0.3456
Schistosoma mansoni tar DNA-binding protein 0.0395 0.3456 0.5123
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.017 1
Brugia malayi MH1 domain containing protein 0.0033 0.0008 0.0008
Trypanosoma brucei PAB1-binding protein , putative 0.005 0.017 1
Echinococcus multilocularis tar DNA binding protein 0.0395 0.3456 1
Toxoplasma gondii LsmAD domain-containing protein 0.005 0.017 1
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.017 1
Brugia malayi MH2 domain containing protein 0.0488 0.4343 0.4343
Brugia malayi hypothetical protein 0.005 0.017 0.017
Loa Loa (eye worm) hypothetical protein 0.005 0.017 0.0162
Brugia malayi isocitrate dehydrogenase 0.0034 0.0011 0.0011
Schistosoma mansoni hypothetical protein 0.0342 0.2953 0.4376
Loa Loa (eye worm) transcription factor SMAD2 0.0488 0.4343 0.4339
Brugia malayi Smad1 0.0033 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0342 0.2953 0.2947
Loa Loa (eye worm) RNA binding protein 0.0395 0.3456 0.3451
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.0011 0.001
Schistosoma mansoni hypothetical protein 0.0342 0.2953 0.4376
Schistosoma mansoni tar DNA-binding protein 0.0395 0.3456 0.5123
Brugia malayi RNA recognition motif domain containing protein 0.0395 0.3456 0.3456
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.017 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.0011 0.001
Plasmodium vivax ataxin-2 like protein, putative 0.005 0.017 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0342 0.2953 0.2947
Schistosoma mansoni eyes absent homolog 0.009 0.0546 0.08
Schistosoma mansoni hypothetical protein 0.0739 0.6738 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0342 0.2953 0.8541
Echinococcus granulosus tar DNA binding protein 0.0395 0.3456 1
Loa Loa (eye worm) hypothetical protein 0.1081 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0739 0.6738 0.6738
Loa Loa (eye worm) isocitrate dehydrogenase 0.0034 0.0011 0.0003
Loa Loa (eye worm) hypothetical protein 0.009 0.0546 0.0539
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0342 0.2953 0.2953
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.017 1
Schistosoma mansoni hypothetical protein 0.0342 0.2953 0.4376

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 9.285 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) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 32.6427 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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
Saccharomyces cerevisiae ChEMBL23
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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