Detailed information for compound 992983

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 325.403 | Formula: C23H19NO
  • H donors: 0 H acceptors: 1 LogP: 5.62 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)Cc1cc2ccccc2cc1c1cccnc1
  • InChi: 1S/C23H19NO/c1-25-22-10-4-6-17(13-22)12-21-14-18-7-2-3-8-19(18)15-23(21)20-9-5-11-24-16-20/h2-11,13-16H,12H2,1H3
  • InChiKey: XLDJQLVQCHGYLP-UHFFFAOYSA-N  

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
Schistosoma mansoni voltage-gated potassium channel 0.0223 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.1028 0.1145
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.007 0.146 0.5
Echinococcus multilocularis voltage dependent calcium channel 0.0106 0.3433 0.3826
Loa Loa (eye worm) hypothetical protein 0.0106 0.3433 0.3826
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0106 0.3433 0.3433
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0106 0.3433 0.3826
Treponema pallidum sodium- and chloride- dependent transporter 0.0137 0.5202 0.5
Loa Loa (eye worm) calcium channel 0.0106 0.3433 0.3826
Schistosoma mansoni voltage-gated cation channel 0.0106 0.3433 0.3433
Echinococcus multilocularis voltage gated potassium channel 0.0063 0.1028 0.1145
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0106 0.3433 0.3826
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0063 0.1028 0.1145
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0106 0.3433 0.3826
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0204 0.8972 1
Loa Loa (eye worm) serotonin transporter b 0.0137 0.5202 0.5797
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0204 0.8972 1
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0106 0.3433 0.3433
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0106 0.3433 0.3826
Onchocerca volvulus 0.0137 0.5202 0.5
Echinococcus granulosus sodium channel protein 0.0057 0.0689 0.0767
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0137 0.5202 0.5797
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0106 0.3433 0.3826
Schistosoma mansoni voltage-gated potassium channel 0.0063 0.1028 0.1028
Echinococcus granulosus voltage dependent calcium channel 0.0106 0.3433 0.3826
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0092 0.2698 0.3007
Loa Loa (eye worm) norepinephrine transporter 0.0137 0.5202 0.5797
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0106 0.3433 0.3826
Echinococcus granulosus voltage gated potassium channel 0.0063 0.1028 0.1145
Loa Loa (eye worm) hypothetical protein 0.0137 0.5202 0.5797
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0204 0.8972 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0204 0.8972 1
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0057 0.0689 0.5
Loa Loa (eye worm) hypothetical protein 0.0137 0.5202 0.5797
Loa Loa (eye worm) hypothetical protein 0.0137 0.5202 0.5797
Echinococcus granulosus serotonin transporter 0.0137 0.5202 0.5797
Schistosoma mansoni sodium/chloride dependent transporter 0.0137 0.5202 0.5202
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0186 0.7959 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0186 0.7959 1
Echinococcus multilocularis serotonin transporter 0.0137 0.5202 0.5797
Loa Loa (eye worm) solute carrier family 6 member 4 0.0137 0.5202 0.5797
Echinococcus multilocularis voltage dependent calcium channel 0.0106 0.3433 0.3826
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0106 0.3433 0.3826
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.007 0.146 0.5
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0137 0.5202 0.5202
Schistosoma mansoni voltage-gated potassium channel 0.0063 0.1028 0.1028
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0063 0.1028 0.1145
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0106 0.3433 0.3826
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0063 0.1028 0.1145
Echinococcus multilocularis sodium channel protein 0.0092 0.2698 0.3007
Loa Loa (eye worm) hypothetical protein 0.0178 0.7495 0.8354

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) Inhibition of human adrenal corticoid CYP11B1 expressed in chinese hamster V79 MZh cells ChEMBL. 18763754
Inhibition (binding) = 62 % Inhibition of human adrenal corticoid CYP11B2 expressed in chinese hamster V79 MZh cells at 500 nM ChEMBL. 18763754

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

1 literature reference was collected for this gene.

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