Detailed information for compound 807790

Basic information

Technical information
  • TDR Targets ID: 807790
  • Name: 6,9-dimethyl-3,4-dihydro-2H-carbazol-1-one
  • MW: 213.275 | Formula: C14H15NO
  • H donors: 0 H acceptors: 1 LogP: 2.8 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc2c(c1)c1CCCC(=O)c1n2C
  • InChi: 1S/C14H15NO/c1-9-6-7-12-11(8-9)10-4-3-5-13(16)14(10)15(12)2/h6-8H,3-5H2,1-2H3
  • InChiKey: HUCYGURJOMKPRS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • BAS 00318981
  • BIM-0013168.P001
  • ZINC00050814
  • A1034/0048444
  • CBMicro_013297
  • MLS000523570
  • SMR000122643
  • 6,9-Dimethyl-2,3,4,9-tetrahydro-carbazol-1-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 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
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) excitatory amino acid transporter 0.0251 1 1
Brugia malayi Raf kinase 0.0027 0.0864 0.0864
Echinococcus multilocularis excitatory amino acid transporter 2 0.0251 1 1
Echinococcus granulosus Excitatory amino acid transporter 0.0251 1 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.2652 0.2652
Echinococcus granulosus neutral amino acid transporter A 0.0251 1 1
Schistosoma mansoni metabotropic glutamate receptor 0.0019 0.0506 0.0506
Schistosoma mansoni jumonji domain containing protein 0.0019 0.0522 0.0522
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0019 0.0522 0.5
Echinococcus multilocularis Excitatory amino acid transporter 0.0251 1 1
Chlamydia trachomatis glutamate symporter 0.0251 1 1
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0111 0.4292 0.4292
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0019 0.0522 0.0522
Schistosoma mansoni serine/threonine protein kinase 0.0027 0.0864 0.0864
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.2652 0.2652
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.0251 1 0.5
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.2652 0.2652
Brugia malayi jmjC domain containing protein 0.0019 0.0522 0.0522
Echinococcus multilocularis JmjC domain containing protein 4 0.0019 0.0522 0.0522
Loa Loa (eye worm) hypothetical protein 0.0047 0.1665 0.1665
Schistosoma mansoni jumonji domain containing protein 0.0071 0.2652 0.2652
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.2652 0.2652
Loa Loa (eye worm) hypothetical protein 0.0019 0.0522 0.0522
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0043 0.1519 0.1519
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0019 0.0522 0.5
Echinococcus granulosus excitatory amino acid transporter 2 0.0251 1 1
Echinococcus granulosus excitatory amino acid transporter 2 0.0251 1 1
Echinococcus multilocularis excitatory amino acid transporter 2 0.0251 1 1
Echinococcus multilocularis phd:f box containing protein 0.0019 0.0522 0.0522
Loa Loa (eye worm) hypothetical protein 0.0019 0.0522 0.0522
Echinococcus multilocularis Excitatory amino acid transporter 0.0251 1 1
Echinococcus multilocularis neutral amino acid transporter A 0.0251 1 1
Echinococcus multilocularis raf serine:threonine protein kinase 0.0027 0.0864 0.0864
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0019 0.0522 0.0522
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0019 0.0522 0.5
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0251 1 1
Brugia malayi RhoGEF domain containing protein 0.0026 0.0828 0.0828
Echinococcus granulosus jumonji domain containing 1A 0.0019 0.0522 0.0522
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0522 0.0522
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0019 0.0522 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.2652 0.2652
Echinococcus granulosus metabotropic glutamate receptor 5 0.0047 0.1665 0.1665
Echinococcus multilocularis jumonji domain containing 1A 0.0019 0.0522 0.0522
Brugia malayi jmjC domain containing protein 0.0019 0.0522 0.0522
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0111 0.4292 0.4292
Loa Loa (eye worm) hypothetical protein 0.0026 0.0827 0.0827
Echinococcus granulosus lysine specific demethylase 5A 0.0071 0.2652 0.2652
Brugia malayi jmjC domain containing protein 0.0019 0.0522 0.0522
Echinococcus multilocularis neutral amino acid transporter A 0.0251 1 1
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0111 0.4292 0.4292
Loa Loa (eye worm) glutamate receptor 0.0038 0.1305 0.1305
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0522 0.0522
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0019 0.0522 0.0522
Echinococcus granulosus JmjC domain containing protein 4 0.0019 0.0522 0.0522
Echinococcus multilocularis neutral amino acid transporter A 0.0251 1 1
Brugia malayi Receptor family ligand binding region containing protein 0.001 0.0146 0.0146
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0111 0.4292 0.4292
Treponema pallidum glutamate transporter 0.0111 0.4292 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0522 0.0522
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0251 1 1
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0019 0.0522 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0522 0.0522
Echinococcus granulosus lysine specific demethylase 6a 0.0019 0.0522 0.0522
Schistosoma mansoni phosphatidylserine receptor 0.0019 0.0522 0.0522
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0032 0.1052 0.1052
Leishmania major hypothetical protein, conserved 0.0019 0.0522 0.5
Brugia malayi jmjC domain containing protein 0.0019 0.0522 0.0522
Echinococcus granulosus Excitatory amino acid transporter 0.0251 1 1
Brugia malayi jmjC domain containing protein 0.0071 0.2652 0.2652
Echinococcus granulosus sodium:dicarboxylate symporter 0.0251 1 1
Brugia malayi Metabotropic glutamate receptor precursor. 0.0038 0.1305 0.1305
Schistosoma mansoni metabotropic glutamate receptor 0.0032 0.1052 0.1052
Brugia malayi metabotropic glutamate receptor type 2 0.0019 0.0506 0.0506
Echinococcus granulosus raf serine:threonine protein kinase 0.0027 0.0864 0.0864
Echinococcus multilocularis lysine specific demethylase 6a 0.0019 0.0522 0.0522
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0047 0.1665 0.1665
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0035 0.1159 0.1159
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.0251 1 1
Brugia malayi jmjC domain containing protein 0.0071 0.2652 0.2652
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.0251 1 0.5
Echinococcus granulosus phd:f box containing protein 0.0019 0.0522 0.0522
Loa Loa (eye worm) hypothetical protein 0.001 0.0146 0.0146
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.001 0.0146 0.0146
Echinococcus granulosus metabotropic glutamate receptor 2 0.0032 0.1052 0.1052
Treponema pallidum glutamate/aspartate transporter 0.0111 0.4292 0.5
Echinococcus granulosus neutral amino acid transporter A 0.0251 1 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.2652 0.2652
Echinococcus multilocularis excitatory amino acid transporter 3 0.0251 1 1
Plasmodium vivax JmjC domain containing protein 0.0019 0.0522 0.5
Onchocerca volvulus still life protein homolog 0.0026 0.0828 0.0828
Schistosoma mansoni phd/f-box containing protein 0.0019 0.0522 0.0522
Loa Loa (eye worm) RhoGEF domain-containing protein 0.0026 0.0828 0.0828
Loa Loa (eye worm) raf kinase 0.0027 0.0864 0.0864
Echinococcus granulosus excitatory amino acid transporter 3 0.0251 1 1
Loa Loa (eye worm) glutamate receptor 0.0015 0.036 0.036
Echinococcus granulosus neutral amino acid transporter 0.0251 1 1
Plasmodium falciparum JmjC domain-containing protein, putative 0.0019 0.0522 0.5
Onchocerca volvulus Excitatory amino acid transporter homolog 0.0251 1 1
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.001 0.0146 0.0146
Schistosoma mansoni protein phosphatase 2C 0.0019 0.0522 0.0522

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) 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) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] 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

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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