Detailed information for compound 1770451

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 422.869 | Formula: C24H15ClN6
  • H donors: 0 H acceptors: 4 LogP: 4.85 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)c1cc2n(n1)c1c(cn2)c(nn1c1ccccc1)c1cccnc1
  • InChi: 1S/C24H15ClN6/c25-18-10-8-16(9-11-18)21-13-22-27-15-20-23(17-5-4-12-26-14-17)29-30(24(20)31(22)28-21)19-6-2-1-3-7-19/h1-15H
  • InChiKey: IVVSNFMWMHFKDC-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
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0142 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.4395 0.4395
Echinococcus granulosus voltage gated potassium channel 0.0012 0.0283 0.0283
Onchocerca volvulus Protein ultraspiracle homolog 0.0142 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0142 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.4395 0.4395
Brugia malayi nuclear receptor RXR 0.0075 0.4995 0.4995
Brugia malayi photoreceptor-specific nuclear receptor 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.2067 0.2067
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0142 1 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0041 0.2474 0.2474
Brugia malayi Steroid receptor seven-up type 2 0.0142 1 1
Brugia malayi nuclear hormone receptor 0.0067 0.4395 0.4395
Brugia malayi hypothetical protein 0.0067 0.4395 0.4395
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0012 0.0283 0.0283
Onchocerca volvulus 0.0142 1 1
Brugia malayi nuclear hormone receptor 0.0142 1 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0067 0.4395 0.4395
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0142 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0142 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.4995 0.4995
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0142 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0142 1 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0075 0.4995 0.4995
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0067 0.4395 0.4395
Brugia malayi conserved hypotetical protein 0.0067 0.4395 0.4395
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.4395 0.4395
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0142 1 1
Brugia malayi nuclear receptor NHR-88 0.0142 1 1
Schistosoma mansoni thyroid hormone receptor 0.0142 1 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0067 0.4395 0.4395
Loa Loa (eye worm) DR-78 0.0067 0.4395 0.4395
Brugia malayi hypothetical protein 0.0075 0.4995 0.4995
Loa Loa (eye worm) hypothetical protein 0.0075 0.4995 0.4995
Echinococcus multilocularis ecdysone induced protein 78C 0.0142 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0142 1 1
Brugia malayi hypothetical protein 0.0067 0.4395 0.4395
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0041 0.2474 0.2474
Brugia malayi Nuclear hormone receptor E75 0.0067 0.4395 0.4395
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0142 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0283 0.0283
Echinococcus multilocularis voltage gated potassium channel 0.0012 0.0283 0.0283
Echinococcus granulosus thyroid hormone receptor alpha 0.0067 0.4395 0.4395
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0142 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0142 1 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0067 0.4395 0.4395
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0142 1 1
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0067 0.4395 0.4395
Schistosoma mansoni zinc finger protein 0.0067 0.4395 0.4395
Brugia malayi nuclear receptor NHR-67 0.0067 0.4395 0.4395
Schistosoma mansoni voltage-gated potassium channel 0.0045 0.2758 0.2758
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0039 0.2272 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0075 0.4995 0.4995
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0067 0.4395 0.4395
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0283 0.0283
Brugia malayi nuclear receptor NHR-88 0.0067 0.4395 0.4395
Brugia malayi Nuclear hormone receptor-like 1 0.0075 0.4995 0.4995
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0142 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0142 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0067 0.4395 0.4395
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0041 0.2474 0.2474
Echinococcus multilocularis thyroid hormone receptor alpha 0.0142 1 1
Brugia malayi hypothetical protein 0.0075 0.4995 0.4995
Loa Loa (eye worm) hypothetical protein 0.0067 0.4395 0.4395
Schistosoma mansoni retinoic acid receptor RXR 0.0142 1 1
Schistosoma mansoni nuclear hormone receptor 0.0142 1 1
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0012 0.0283 0.0283
Brugia malayi Nuclear hormone receptor E75 0.0067 0.4395 0.4395
Schistosoma mansoni RAR-like nuclear receptor 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.4995 0.4995
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0041 0.2474 0.2474
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0142 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0142 1 1
Echinococcus granulosus FTZ F1 alpha 0.0142 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0142 1 1
Brugia malayi ecdysone receptor 0.0067 0.4395 0.4395
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0075 0.4995 0.4995
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0142 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0283 0.0283
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0142 1 1
Brugia malayi tailless protein 0.0067 0.4395 0.4395
Loa Loa (eye worm) hypothetical protein 0.0067 0.4395 0.4395
Echinococcus multilocularis nuclear receptor nhr 48 0.0067 0.4395 0.4395
Brugia malayi Nuclear hormone receptor-like 1 0.0142 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0067 0.4395 0.4395
Brugia malayi steroid hormone receptor 0.0142 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0075 0.4995 0.4995
Brugia malayi Nuclear hormone receptor-like 1 0.0075 0.4995 0.4995
Schistosoma mansoni thyroid hormone receptor 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.4395 0.4395
Loa Loa (eye worm) hypothetical protein 0.0067 0.4395 0.4395
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0039 0.2272 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.4395 0.4395
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0142 1 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0067 0.4395 0.4395
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0142 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0067 0.4395 0.4395
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0075 0.4995 0.4995
Brugia malayi orphan nuclear receptor NR2E1 0.0067 0.4395 0.4395
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0067 0.4395 0.4395
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0142 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0142 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.4395 0.4395
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0142 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.4395 0.4395
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.4995 0.4995
Loa Loa (eye worm) hypothetical protein 0.0067 0.4395 0.4395
Brugia malayi nuclear hormone receptor family member odr-7 0.0067 0.4395 0.4395
Schistosoma mansoni coup transcription factor 0.0142 1 1
Schistosoma mansoni nuclear hormone receptor 0.0067 0.4395 0.4395
Schistosoma mansoni nuclear receptor 0.0067 0.4395 0.4395
Schistosoma mansoni nuclear receptor nhr-48 0.0067 0.4395 0.4395
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.4995 0.4995
Brugia malayi nuclear hormone receptor family member nhr-6 0.0067 0.4395 0.4395
Loa Loa (eye worm) hypothetical protein 0.0067 0.4395 0.4395
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0012 0.0283 0.0283
Loa Loa (eye worm) hypothetical protein 0.0067 0.4395 0.4395
Brugia malayi nuclear receptor RXR 0.0067 0.4395 0.4395
Schistosoma mansoni nuclear receptor 0.0067 0.4395 0.4395
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0142 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0142 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0142 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0067 0.4395 0.4395
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0067 0.4395 0.4395
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0142 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0142 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0142 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0067 0.4395 0.4395
Echinococcus multilocularis FTZ F1 alpha 0.0142 1 1
Schistosoma mansoni nuclear hormone receptor 0.0067 0.4395 0.4395
Loa Loa (eye worm) nuclear hormone receptor 0.0067 0.4395 0.4395
Schistosoma mansoni voltage-gated potassium channel 0.0045 0.2758 0.2758
Echinococcus granulosus nuclear receptor nhr 48 0.0067 0.4395 0.4395

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 14.7 ug ml-1 Cytotoxicity against human MCF7 cells by SRB assay ChEMBL. 23831694
IC50 (functional) = 16.2 ug ml-1 Cytotoxicity against human HepG2 cells by SRB assay ChEMBL. 23831694

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 23831694

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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