Detailed information for compound 1329165

Basic information

Technical information
  • TDR Targets ID: 1329165
  • Name: (4-chloro-2-methylphenyl)-[1-(furan-3-carbony l)piperidin-3-yl]methanone
  • MW: 331.793 | Formula: C18H18ClNO3
  • H donors: 0 H acceptors: 2 LogP: 3.28 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)C)C(=O)C1CCCN(C1)C(=O)c1cocc1
  • InChi: 1S/C18H18ClNO3/c1-12-9-15(19)4-5-16(12)17(21)13-3-2-7-20(10-13)18(22)14-6-8-23-11-14/h4-6,8-9,11,13H,2-3,7,10H2,1H3
  • InChiKey: ZERLGUKUJNNCCS-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • (4-chloro-2-methyl-phenyl)-[1-(furan-3-carbonyl)-3-piperidyl]methanone
  • (4-chloro-2-methylphenyl)-[1-(3-furyl-oxomethyl)-3-piperidinyl]methanone
  • (4-chloro-2-methyl-phenyl)-(1-furan-3-ylcarbonylpiperidin-3-yl)methanone
  • (4-chloro-2-methylphenyl)[1-(3-furoyl)piperidin-3-yl]methanone
  • MLS000734937
  • SMR000315812

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
Loa Loa (eye worm) hypothetical protein 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
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
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
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
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative 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 japonicum expressed protein 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
Brugia malayi Bromodomain containing 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
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0618 0.0667
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0947 0.1287
Echinococcus granulosus zinc finger protein 0.0024 0.0435 0.0592
Brugia malayi Bromodomain containing protein 0.0046 0.3667 0.2673
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0106 0.0114
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.3258 0.4427
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.736 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.9262 1
Schistosoma mansoni zinc finger protein 0.0024 0.0435 0.0546
Loa Loa (eye worm) hypothetical protein 0.0046 0.3679 0.3972
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0947 0.1287
Echinococcus multilocularis zinc finger protein 0.0024 0.0435 0.0592
Loa Loa (eye worm) hypothetical protein 0.0052 0.4417 0.4769
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0947 0.1188
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.3258 0.4427
Loa Loa (eye worm) hypothetical protein 0.0049 0.4087 0.4413
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.736 1
Schistosoma mansoni hypothetical protein 0.0025 0.0618 0.0774
Schistosoma mansoni bromodomain containing protein 0.0076 0.7978 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 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
Homo sapiens 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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