Detailed information for compound 326499

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 503.636 | Formula: C29H37N5O3
  • H donors: 3 H acceptors: 4 LogP: 3.16 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(Nc1ccc2c(c1)c(O)c1c(n2)cc(cc1)NC(=O)CCN1CCCCC1)CCN1CCCCC1
  • InChi: 1S/C29H37N5O3/c35-27(11-17-33-13-3-1-4-14-33)30-21-8-10-25-24(19-21)29(37)23-9-7-22(20-26(23)32-25)31-28(36)12-18-34-15-5-2-6-16-34/h7-10,19-20H,1-6,11-18H2,(H,30,35)(H,31,36)(H,32,37)
  • InChiKey: OCDUGFBJFFEFBO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens telomerase reverse transcriptase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans telomerase reverse transcriptase Get druggable targets OG5_131652 All targets in OG5_131652
Babesia bovis conserved hypothetical protein Get druggable targets OG5_131652 All targets in OG5_131652
Theileria parva hypothetical protein Get druggable targets OG5_131652 All targets in OG5_131652
Brugia malayi Telomerase reverse transcriptase Get druggable targets OG5_131652 All targets in OG5_131652
Onchocerca volvulus Telomerase reverse transcriptase homolog Get druggable targets OG5_131652 All targets in OG5_131652
Candida albicans telomerase reverse transcriptase Get druggable targets OG5_131652 All targets in OG5_131652
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 Thyroglobulin type-1 repeat family protein 0.1176 0.789 1
Echinococcus multilocularis insulin growth factor binding 0.1463 1 0.5
Onchocerca volvulus 0.1176 0.789 1
Plasmodium falciparum telomerase reverse transcriptase 0.0103 0 0.5
Leishmania major telomerase reverse transcriptase, putative 0.0103 0 0.5
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0103 0 0.5
Giardia lamblia Telomerase catalytic subunit 0.0103 0 0.5
Loa Loa (eye worm) hypothetical protein 0.1176 0.789 0.5
Loa Loa (eye worm) thyroglobulin type-1 repeat family protein 0.1176 0.789 0.5
Trypanosoma brucei telomerase reverse transcriptase 0.0103 0 0.5
Brugia malayi secreted modular calcium-binding protein 1 0.1176 0.789 1
Onchocerca volvulus 0.1176 0.789 1
Toxoplasma gondii RNA-directed DNA polymerase 0.0103 0 0.5
Onchocerca volvulus 0.1176 0.789 1
Brugia malayi Thyroglobulin type-1 repeat family protein 0.1176 0.789 1
Brugia malayi Thyroglobulin type-1 repeat family protein 0.1176 0.789 1
Onchocerca volvulus 0.1176 0.789 1
Loa Loa (eye worm) hypothetical protein 0.1176 0.789 0.5
Plasmodium vivax telomerase reverse transcriptase, putative 0.0103 0 0.5
Loa Loa (eye worm) hypothetical protein 0.1176 0.789 0.5
Schistosoma mansoni insulin-like growth factor binding protein-related 0.1463 1 0.5
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0103 0 0.5
Loa Loa (eye worm) thyroglobulin type-1 repeat family protein 0.1176 0.789 0.5
Loa Loa (eye worm) hypothetical protein 0.1176 0.789 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 0.4 uM Concentration required to inhibit 50% of telomerase activity ChEMBL. 15501053
EC50 (binding) = 0.4 uM Concentration required to inhibit 50% of telomerase activity ChEMBL. 15501053
IC50 (binding) = 0.4 uM Inhibition of telomerase in human A2780 cells by TRAP assay ChEMBL. 19726112
IC50 (functional) = 5.6 uM Concentration required to inhibit 50% of human carcinoma A2780 cell lines ChEMBL. 15501053
IC50 (functional) = 5.6 uM Concentration required to inhibit 50% of human carcinoma A2780 cell lines ChEMBL. 15501053
IC50 (functional) = 25 uM Concentration required to inhibit 50% of human carcinoma CH1 cell lines ChEMBL. 15501053
IC50 (functional) = 25 uM Concentration required to inhibit 50% of human carcinoma SKOV3 cell lines ChEMBL. 15501053
IC50 (functional) = 25 uM Concentration required to inhibit 50% of human carcinoma SKOV3 cell lines ChEMBL. 15501053

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 15501053

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

2 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.