Detailed information for compound 1771593
Basic information
Technical information
- Name: Unnamed compound
- MW: 410.94 | Formula: C21H15ClN2OS2
-
H donors: 1
H acceptors: 2
LogP: 6.31
Rotable bonds: 3
Rule of 5 violations (Lipinski): 1 - SMILES: Clc1ccc2c(c1)nc(s2)c1c(/N=C/c2ccccc2O)sc2c1CCC2
- InChi: 1S/C21H15ClN2OS2/c22-13-8-9-18-15(10-13)24-21(27-18)19-14-5-3-7-17(14)26-20(19)23-11-12-4-1-2-6-16(12)25/h1-2,4,6,8-11,25H,3,5,7H2/b23-11+
- InChiKey: IRSBQOCTMPOZPA-FOKLQQMPSA-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 | 0.0012 | 0.0302 | 0.0302 |
| Loa Loa (eye worm) | nuclear Hormone Receptor family member | 0.0133 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor E75 | 0.0063 | 0.4374 | 0.4374 |
| Echinococcus granulosus | thyroid hormone receptor alpha | 0.0063 | 0.4374 | 0.4374 |
| Trichomonas vaginalis | voltage and ligand gated potassium channel, putative | 0.0038 | 0.2417 | 1 |
| Schistosoma mansoni | ecdysone-induced protein 78c (dr-78) | 0.007 | 0.4977 | 0.4977 |
| Schistosoma mansoni | voltage-gated potassium channel | 0.0045 | 0.2934 | 0.2934 |
| Loa Loa (eye worm) | steroid hormone receptor | 0.0133 | 1 | 1 |
| Schistosoma mansoni | coup transcription factor | 0.0133 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0063 | 0.4374 | 0.4374 |
| Echinococcus multilocularis | nuclear receptor subfamily 1 group D | 0.007 | 0.4977 | 0.4977 |
| Echinococcus multilocularis | nuclear receptor 2DBD gamma | 0.0133 | 1 | 1 |
| Schistosoma mansoni | photoreceptor-specific nuclear receptor related | 0.0133 | 1 | 1 |
| Loa Loa (eye worm) | nuclear hormone receptor-like 1 | 0.007 | 0.4977 | 0.4977 |
| Schistosoma mansoni | steroid hormone receptor ad4bp | 0.0133 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0133 | 1 | 1 |
| Echinococcus multilocularis | potassium voltage gated channel subfamily H | 0.0012 | 0.0302 | 0.0302 |
| Loa Loa (eye worm) | nuclear receptor NHR-67 | 0.0063 | 0.4374 | 0.4374 |
| Echinococcus multilocularis | nuclear receptor 2DBD gamma | 0.0063 | 0.4374 | 0.4374 |
| Loa Loa (eye worm) | hypothetical protein | 0.0063 | 0.4374 | 0.4374 |
| Brugia malayi | nuclear hormone receptor family member nhr-6 | 0.0063 | 0.4374 | 0.4374 |
| Loa Loa (eye worm) | hypothetical protein | 0.0063 | 0.4374 | 0.4374 |
| Schistosoma mansoni | retinoic acid receptor RXR | 0.0133 | 1 | 1 |
| Schistosoma mansoni | nuclear hormone receptor | 0.0063 | 0.4374 | 0.4374 |
| Brugia malayi | nuclear receptor subfamily 1, group D, member 1, putative | 0.0063 | 0.4374 | 0.4374 |
| Echinococcus multilocularis | FTZ F1 alpha | 0.0133 | 1 | 1 |
| Echinococcus granulosus | nuclear receptor 2DBD gamma | 0.0063 | 0.4374 | 0.4374 |
| Loa Loa (eye worm) | hypothetical protein | 0.0063 | 0.4374 | 0.4374 |
| Echinococcus multilocularis | Nuclear hormone receptor HR96 | 0.0063 | 0.4374 | 0.4374 |
| Loa Loa (eye worm) | hypothetical protein | 0.007 | 0.4977 | 0.4977 |
| Echinococcus granulosus | nuclear receptor subfamily 1 group D | 0.007 | 0.4977 | 0.4977 |
| Brugia malayi | tailless protein | 0.0063 | 0.4374 | 0.4374 |
| Onchocerca volvulus | Protein ultraspiracle homolog | 0.0133 | 1 | 1 |
| Schistosoma mansoni | nuclear receptor | 0.0063 | 0.4374 | 0.4374 |
| Brugia malayi | steroid hormone receptor | 0.0133 | 1 | 1 |
| Schistosoma mansoni | hepatocyte nuclear factor 4-alpha (hnf-4-alpha) | 0.0063 | 0.4374 | 0.4374 |
| Brugia malayi | hypothetical protein | 0.007 | 0.4977 | 0.4977 |
| Brugia malayi | Nuclear hormone receptor family member nhr-14 | 0.0133 | 1 | 1 |
| Brugia malayi | nuclear receptor NHR-88 | 0.0063 | 0.4374 | 0.4374 |
| Echinococcus granulosus | nuclear receptor nhr 48 | 0.0063 | 0.4374 | 0.4374 |
| Brugia malayi | nuclear receptor RXR | 0.007 | 0.4977 | 0.4977 |
| Schistosoma mansoni | nuclear hormone receptor | 0.0133 | 1 | 1 |
| Echinococcus multilocularis | FTZ F1 nuclear receptor protein | 0.0133 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.007 | 0.4977 | 0.4977 |
| Loa Loa (eye worm) | nuclear hormone receptor | 0.0063 | 0.4374 | 0.4374 |
| Echinococcus multilocularis | COUP TF:Svp nuclear hormone receptor | 0.0133 | 1 | 1 |
| Schistosoma mansoni | thyroid hormone receptor | 0.0133 | 1 | 1 |
| Echinococcus multilocularis | nuclear receptor subfamily 4 group A | 0.0063 | 0.4374 | 0.4374 |
| Onchocerca volvulus | Bile acid receptor homolog | 0.0133 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0063 | 0.4374 | 0.4374 |
| Schistosoma mansoni | voltage-gated potassium channel | 0.0012 | 0.0302 | 0.0302 |
| Loa Loa (eye worm) | hypothetical protein | 0.0012 | 0.0302 | 0.0302 |
| Loa Loa (eye worm) | hypothetical protein | 0.007 | 0.4977 | 0.4977 |
| Brugia malayi | nuclear receptor NHR-88 | 0.0133 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0063 | 0.4374 | 0.4374 |
| Echinococcus granulosus | potassium voltage gated channel subfamily H | 0.0012 | 0.0302 | 0.0302 |
| Schistosoma mansoni | FTZ-F1 nuclear receptor-like protein | 0.0133 | 1 | 1 |
| Echinococcus granulosus | retinoic acid receptor rxr beta a | 0.0133 | 1 | 1 |
| Schistosoma mansoni | voltage-gated potassium channel | 0.0045 | 0.2934 | 0.2934 |
| Brugia malayi | nuclear receptor NHR-67 | 0.0063 | 0.4374 | 0.4374 |
| Brugia malayi | Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog | 0.0041 | 0.2633 | 0.2633 |
| Loa Loa (eye worm) | hypothetical protein | 0.0133 | 1 | 1 |
| Echinococcus multilocularis | Nuclear hormone receptor HR96 | 0.0063 | 0.4374 | 0.4374 |
| Brugia malayi | Nuclear hormone receptor-like 1 | 0.0133 | 1 | 1 |
| Loa Loa (eye worm) | voltage and ligand gated potassium channel | 0.0041 | 0.2633 | 0.2633 |
| Brugia malayi | orphan nuclear receptor NR2E1 | 0.0063 | 0.4374 | 0.4374 |
| Brugia malayi | Nuclear hormone receptor family member nhr-19 | 0.0133 | 1 | 1 |
| Schistosoma mansoni | zinc finger protein | 0.0063 | 0.4374 | 0.4374 |
| Echinococcus multilocularis | thyroid hormone receptor alpha | 0.0133 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0063 | 0.4374 | 0.4374 |
| Echinococcus granulosus | nuclear receptor 2DBD gamma | 0.0133 | 1 | 1 |
| Echinococcus granulosus | Nuclear hormone receptor HR96 | 0.0063 | 0.4374 | 0.4374 |
| Schistosoma mansoni | retinoid-x-receptor (RXR) | 0.007 | 0.4977 | 0.4977 |
| Brugia malayi | ecdysone receptor | 0.0063 | 0.4374 | 0.4374 |
| Brugia malayi | conserved hypotetical protein | 0.0063 | 0.4374 | 0.4374 |
| Brugia malayi | Nuclear hormone receptor family member nhr-41 | 0.0133 | 1 | 1 |
| Schistosoma mansoni | retinoid-x-receptor (RXR) | 0.0133 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0133 | 1 | 1 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-40 | 0.0133 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-19 | 0.0133 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0063 | 0.4374 | 0.4374 |
| Echinococcus multilocularis | ecdysone induced protein 78C | 0.0133 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0133 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0063 | 0.4374 | 0.4374 |
| Loa Loa (eye worm) | hypothetical protein | 0.0133 | 1 | 1 |
| Schistosoma mansoni | nuclear hormone receptor nor-1/nor-2 | 0.0133 | 1 | 1 |
| Schistosoma mansoni | nuclear receptor 2DBD-gamma | 0.0133 | 1 | 1 |
| Echinococcus granulosus | voltage gated potassium channel | 0.0012 | 0.0302 | 0.0302 |
| Brugia malayi | Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog | 0.0012 | 0.0302 | 0.0302 |
| Loa Loa (eye worm) | hypothetical protein | 0.0063 | 0.4374 | 0.4374 |
| Brugia malayi | nuclear hormone receptor | 0.0133 | 1 | 1 |
| Loa Loa (eye worm) | nuclear receptor nhr-7B | 0.0063 | 0.4374 | 0.4374 |
| Loa Loa (eye worm) | hypothetical protein | 0.0063 | 0.4374 | 0.4374 |
| Onchocerca volvulus | Steroid hormone receptor family member cnr14 homolog | 0.0133 | 1 | 1 |
| Echinococcus multilocularis | retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha | 0.0063 | 0.4374 | 0.4374 |
| Brugia malayi | Nuclear hormone receptor family member nhr-31 | 0.0133 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0133 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-49 | 0.0133 | 1 | 1 |
| Schistosoma mansoni | thyroid hormone receptor | 0.0133 | 1 | 1 |
| Echinococcus granulosus | COUP TF:Svp nuclear hormone receptor | 0.0133 | 1 | 1 |
| Brugia malayi | Ligand-binding domain of nuclear hormone receptor family protein | 0.0133 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-40 | 0.0133 | 1 | 1 |
| Echinococcus granulosus | FTZ F1 nuclear receptor protein | 0.0133 | 1 | 1 |
| Echinococcus granulosus | potassium voltage gated channel subfamily H | 0.0041 | 0.2633 | 0.2633 |
| Echinococcus granulosus | Nuclear hormone receptor family member nhr 41 | 0.0133 | 1 | 1 |
| Trichomonas vaginalis | voltage and ligand gated potassium channel, putative | 0.0038 | 0.2417 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0063 | 0.4374 | 0.4374 |
| Brugia malayi | Nuclear hormone receptor family member nhr-25 | 0.0133 | 1 | 1 |
| Schistosoma mansoni | RAR-like nuclear receptor | 0.0133 | 1 | 1 |
| Brugia malayi | nuclear hormone receptor | 0.0063 | 0.4374 | 0.4374 |
| Brugia malayi | Nuclear hormone receptor-like 1 | 0.007 | 0.4977 | 0.4977 |
| Echinococcus multilocularis | hepatocyte nuclear factor 4 alpha | 0.0133 | 1 | 1 |
| Echinococcus multilocularis | Nuclear hormone receptor family member nhr 41 | 0.0133 | 1 | 1 |
| Schistosoma mansoni | nuclear receptor | 0.0063 | 0.4374 | 0.4374 |
| Loa Loa (eye worm) | hypothetical protein | 0.0036 | 0.2199 | 0.2199 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-31 | 0.0133 | 1 | 1 |
| Echinococcus multilocularis | nuclear receptor nhr 48 | 0.0063 | 0.4374 | 0.4374 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-41 | 0.0133 | 1 | 1 |
| Loa Loa (eye worm) | DR-78 | 0.0063 | 0.4374 | 0.4374 |
| Loa Loa (eye worm) | hypothetical protein | 0.0133 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0063 | 0.4374 | 0.4374 |
| Onchocerca volvulus | 0.0133 | 1 | 1 | |
| Brugia malayi | Nuclear hormone receptor family member nhr-1 | 0.0133 | 1 | 1 |
| Echinococcus granulosus | Nuclear hormone receptor HR96 | 0.0063 | 0.4374 | 0.4374 |
| Brugia malayi | Nuclear hormone receptor family member nhr-3 | 0.0133 | 1 | 1 |
| Echinococcus granulosus | nuclear receptor subfamily 4 group A | 0.0063 | 0.4374 | 0.4374 |
| Echinococcus granulosus | hepatocyte nuclear factor 4 alpha | 0.0133 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0133 | 1 | 1 |
| Echinococcus granulosus | FTZ F1 alpha | 0.0133 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0063 | 0.4374 | 0.4374 |
| Schistosoma mansoni | Tr4/Tr2 (homologue) | 0.0133 | 1 | 1 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-49 | 0.0133 | 1 | 1 |
| Brugia malayi | nuclear hormone receptor family member odr-7 | 0.0063 | 0.4374 | 0.4374 |
| Schistosoma mansoni | nuclear hormone receptor | 0.0063 | 0.4374 | 0.4374 |
| Schistosoma mansoni | nuclear hormone receptor superfamily protein-related | 0.0063 | 0.4374 | 0.4374 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-1 | 0.0133 | 1 | 1 |
| Brugia malayi | photoreceptor-specific nuclear receptor | 0.0133 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0063 | 0.4374 | 0.4374 |
| Brugia malayi | Nuclear hormone receptor family member nhr-25 | 0.0133 | 1 | 1 |
| Brugia malayi | Ligand-binding domain of nuclear hormone receptor family protein | 0.0133 | 1 | 1 |
| Brugia malayi | nuclear receptor RXR | 0.0063 | 0.4374 | 0.4374 |
| Loa Loa (eye worm) | hypothetical protein | 0.007 | 0.4977 | 0.4977 |
| Brugia malayi | hypothetical protein | 0.007 | 0.4977 | 0.4977 |
| Echinococcus multilocularis | potassium voltage gated channel subfamily H | 0.0041 | 0.2633 | 0.2633 |
| Brugia malayi | Nuclear hormone receptor E75 | 0.0063 | 0.4374 | 0.4374 |
| Echinococcus granulosus | nuclear receptor 2DBD gamma | 0.0133 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor-like 1 | 0.007 | 0.4977 | 0.4977 |
| Echinococcus granulosus | ecdysone induced protein 78C | 0.0133 | 1 | 1 |
| Schistosoma mansoni | nuclear receptor nhr-48 | 0.0063 | 0.4374 | 0.4374 |
| Brugia malayi | Steroid receptor seven-up type 2 | 0.0133 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.007 | 0.4977 | 0.4977 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-14 | 0.0133 | 1 | 1 |
| Echinococcus multilocularis | voltage gated potassium channel | 0.0012 | 0.0302 | 0.0302 |
| Echinococcus multilocularis | nuclear receptor 2DBD gamma | 0.0133 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| CC50 (ADMET) | = 250.8 ug ml-1 | Cytotoxicity against human HeLa cells after 72 hrs by MTT assay | ChEMBL. | 23920438 |
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.
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
- ChEMBL: CHEMBL2420742
Bibliographic References
No literature references available for this target.
If you have references for this compound, please enter them in a user comment (below) or Contact us.