Detailed information for compound 1374024

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 259.276 | Formula: C15H14FNO2
  • H donors: 1 H acceptors: 2 LogP: 2.34 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)Cc1c(O)ccn(c1=O)C1CC1
  • InChi: 1S/C15H14FNO2/c16-11-3-1-10(2-4-11)9-13-14(18)7-8-17(15(13)19)12-5-6-12/h1-4,7-8,12,18H,5-6,9H2
  • InChiKey: YOARALDHKFYYHF-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570

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
Trypanosoma brucei ISWI complex protein 0.0018 0.0182 0.0676
Echinococcus multilocularis isocitrate dehydrogenase 0.0018 0.0116 0.0226
Schistosoma mansoni zinc finger protein 0.0018 0.0182 0.0329
Brugia malayi Bromodomain containing protein 0.0046 0.2745 0.2745
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0018 0.0116 0.0226
Schistosoma mansoni zinc finger protein 0.0024 0.0659 0.1192
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.1092 1
Loa Loa (eye worm) transcription factor SMAD2 0.0125 1 1
Trypanosoma cruzi ISWI complex protein 0.0018 0.0182 0.0676
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0018 0.0116 0.0226
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.5129 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0989 0.179
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0776 0.0776
Loa Loa (eye worm) isocitrate dehydrogenase 0.0018 0.0116 0.0116
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0018 0.0116 0.5
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0021 0.0378 0.0736
Brugia malayi hypothetical protein 0.0028 0.1092 0.1092
Loa Loa (eye worm) hypothetical protein 0.0049 0.3016 0.3016
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0378 0.0683
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0378 0.0683
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.2481 0.4837
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0116 0.0226
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0021 0.0378 0.0736
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.3289 0.3289
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0446 0.0446
Leishmania major hypothetical protein, conserved 0.0018 0.0182 0.0676
Brugia malayi Bromodomain containing protein 0.0091 0.6833 0.6833
Loa Loa (eye worm) hypothetical protein 0.0028 0.1092 0.1092
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.1092 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.1767 0.1767
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.3289 0.3289
Loa Loa (eye worm) hypothetical protein 0.0046 0.2752 0.2752
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0018 0.0116 0.021
Loa Loa (eye worm) hypothetical protein 0.0052 0.3289 0.3289
Loa Loa (eye worm) hypothetical protein 0.0021 0.0378 0.0378
Brugia malayi PHD-finger family protein 0.003 0.1253 0.1253
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0989 0.1929
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.1092 1
Trypanosoma cruzi ISWI complex protein 0.0018 0.0182 0.0676
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.1767 0.1767
Brugia malayi hypothetical protein 0.0018 0.0165 0.0165
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.1092 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.3229 0.3229
Schistosoma mansoni hypothetical protein 0.0036 0.1767 0.3196
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.1092 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0116 0.0226
Schistosoma mansoni hypothetical protein 0.0018 0.0182 0.0329
Leishmania major hypothetical protein, conserved 0.0028 0.1092 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.5129 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0378 0.0683
Brugia malayi Isocitrate dehydrogenase 0.0018 0.0116 0.0116
Echinococcus granulosus methyl CpG binding domain protein 2 0.0021 0.0378 0.0736
Schistosoma mansoni hypothetical protein 0.0025 0.0776 0.1405
Schistosoma mansoni bromodomain containing protein 0.0076 0.5528 1
Echinococcus multilocularis zinc finger protein 0.0024 0.0659 0.1284
Brugia malayi isocitrate dehydrogenase 0.0018 0.0116 0.0116
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0989 0.1929
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.1092 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.3289 0.3289
Echinococcus granulosus zinc finger protein 0.0024 0.0659 0.1284
Loa Loa (eye worm) hypothetical protein 0.0085 0.6357 0.6357
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.1092 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0378 0.0683
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0116 0.0226
Echinococcus granulosus histone lysine methyltransferase setb 0.0021 0.0378 0.0736
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.2481 0.4837

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 5.2213 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) = 5.6234 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (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
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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