Detailed information for compound 1406821

Basic information

Technical information
  • TDR Targets ID: 1406821
  • Name: 9-(3,4-dimethoxyphenyl)-3,3,6,6,10-pentamethy l-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
  • MW: 423.545 | Formula: C26H33NO4
  • H donors: 0 H acceptors: 2 LogP: 4.06 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1OC)C1C2=C(CC(CC2=O)(C)C)N(C2=C1C(=O)CC(C2)(C)C)C
  • InChi: 1S/C26H33NO4/c1-25(2)11-16-23(18(28)13-25)22(15-8-9-20(30-6)21(10-15)31-7)24-17(27(16)5)12-26(3,4)14-19(24)29/h8-10,22H,11-14H2,1-7H3
  • InChiKey: XFNXJYJBMRBTFP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 9-(3,4-dimethoxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-quinone
  • ZINC01176505
  • BAS 03095083
  • Oprea1_827024
  • Oprea1_202825
  • T0503-4544

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references

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
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.3193 0.3193
Echinococcus granulosus tar DNA binding protein 0.007 0.4457 1
Schistosoma mansoni tar DNA-binding protein 0.007 0.4457 1
Schistosoma mansoni tar DNA-binding protein 0.007 0.4457 1
Brugia malayi TAR-binding protein 0.007 0.4457 0.4457
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.3193 0.3193
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.1715 0.1715
Brugia malayi RNA binding protein 0.007 0.4457 0.4457
Loa Loa (eye worm) hypothetical protein 0.0055 0.3193 0.3193
Loa Loa (eye worm) hypothetical protein 0.0038 0.1715 0.1715
Schistosoma mansoni tar DNA-binding protein 0.007 0.4457 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.3193 0.3193
Schistosoma mansoni tar DNA-binding protein 0.007 0.4457 1
Echinococcus multilocularis tar DNA binding protein 0.007 0.4457 1
Loa Loa (eye worm) TAR-binding protein 0.007 0.4457 0.4457
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.007 0.4457 0.4457
Loa Loa (eye worm) RNA binding protein 0.007 0.4457 0.4457
Schistosoma mansoni tar DNA-binding protein 0.007 0.4457 1
Brugia malayi RNA recognition motif domain containing protein 0.007 0.4457 0.4457
Schistosoma mansoni hypothetical protein 0.0038 0.1715 0.3848

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3981 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 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) 13.1154 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) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
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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