Detailed information for compound 1190265

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 360.449 | Formula: C23H24N2O2
  • H donors: 1 H acceptors: 1 LogP: 4.24 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)NC(=O)C1(C)CCN1Cc1ccc2c(c1)cccc2
  • InChi: 1S/C23H24N2O2/c1-23(22(26)24-20-8-5-9-21(15-20)27-2)12-13-25(23)16-17-10-11-18-6-3-4-7-19(18)14-17/h3-11,14-15H,12-13,16H2,1-2H3,(H,24,26)
  • InChiKey: RJGTZJHHWNVPFP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Toxoplasma gondii GHMP kinase, N-terminal domain-containing protein 0.036 0.3511 1
Giardia lamblia Mevalonate kinase 0.0237 0.1576 0.5
Mycobacterium ulcerans phosphomevalonate kinase 0.0237 0.1576 0.1271
Mycobacterium ulcerans 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.0237 0.1576 0.1271
Trypanosoma cruzi homoserine kinase 0.0237 0.1576 0.1576
Trypanosoma brucei galactokinase-like protein, putative 0.0514 0.5923 1
Trichomonas vaginalis galactokinase, putative 0.036 0.3511 1
Leishmania major galactokinase-like protein 0.0774 1 1
Mycobacterium ulcerans galactokinase 0.0774 1 1
Mycobacterium ulcerans homoserine kinase 0.0237 0.1576 0.1271
Trypanosoma cruzi galactokinase, putative 0.0774 1 1
Brugia malayi galactokinase family protein 0.036 0.3511 1
Treponema pallidum galactokinase 0.0673 0.8424 1
Echinococcus granulosus Mevalonate galactokinase 0.0237 0.1576 0.1271
Toxoplasma gondii GHMP kinase, putative 0.0237 0.1576 0.3878
Trypanosoma cruzi galactokinase, putative 0.0673 0.8424 0.8424
Loa Loa (eye worm) galactokinase 0.036 0.3511 1
Treponema pallidum hypothetical protein 0.0237 0.1576 0.1519
Schistosoma mansoni galactokinase 0.036 0.3511 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0159 0.0349 0.5
Trypanosoma cruzi homoserine kinase 0.0237 0.1576 0.1576
Trypanosoma cruzi galactokinase, putative 0.0774 1 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0159 0.0349 0.5
Trichomonas vaginalis galactokinase, putative 0.036 0.3511 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0159 0.0349 0.5
Wolbachia endosymbiont of Brugia malayi 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.0237 0.1576 1
Mycobacterium tuberculosis Probable galactokinase GalK (galactose kinase) 0.0774 1 1
Trichomonas vaginalis galactokinase, putative 0.036 0.3511 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0159 0.0349 0.5
Trypanosoma cruzi mevalonate kinase, putative 0.0237 0.1576 0.1576
Echinococcus granulosus N acetylgalactosamine kinase 0.036 0.3511 0.3277
Echinococcus multilocularis Mevalonate galactokinase 0.0237 0.1576 0.1271
Loa Loa (eye worm) hypothetical protein 0.0237 0.1576 0.3878
Mycobacterium ulcerans mevalonate kinase, Erg12 0.0237 0.1576 0.1271
Trypanosoma cruzi galactokinase-like protein, putative 0.0673 0.8424 0.8424
Brugia malayi mevalonate kinase family protein 0.0237 0.1576 0.3878
Echinococcus multilocularis N acetylgalactosamine kinase 0.036 0.3511 0.3277
Schistosoma mansoni mevalonate kinase 0.0237 0.1576 0.3878
Echinococcus multilocularis galactokinase 0.0774 1 1
Trichomonas vaginalis galactokinase, putative 0.036 0.3511 1
Mycobacterium leprae Probable 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase IspE (CMK) (4-(cytidine-5'-diphospho)-2-C-methyl-D-erythritol kinase) 0.0237 0.1576 1
Entamoeba histolytica galactokinase, putative 0.0774 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] 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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