Detailed information for compound 827408

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 382.863 | Formula: C20H15ClN2O2S
  • H donors: 1 H acceptors: 2 LogP: 5.67 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1NC(=O)c1cc2c(s1)c1ccccc1nc2Cl)C
  • InChi: 1S/C20H15ClN2O2S/c1-11-7-8-16(25-2)15(9-11)23-20(24)17-10-13-18(26-17)12-5-3-4-6-14(12)22-19(13)21/h3-10H,1-2H3,(H,23,24)
  • InChiKey: NFCBCIHBGKZEMF-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
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0181 0.2614 1
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0181 0.2614 1
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0094 0.0881 0.0191
Loa Loa (eye worm) solute carrier family 6 member 4 0.0552 1 1
Entamoeba histolytica cell division protein kinase 2, putative 0.0181 0.2614 1
Giardia lamblia Kinase, CMGC CDK 0.0181 0.2614 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0094 0.0881 0.0191
Trichomonas vaginalis cyclin A, putative 0.0085 0.0703 0.2183
Trichomonas vaginalis cyclins, putative 0.0085 0.0703 0.2183
Trichomonas vaginalis cyclins, putative 0.0085 0.0703 0.2183
Schistosoma mansoni sodium-dependent amino acid transporter 0.0094 0.0881 0.0191
Echinococcus multilocularis serotonin transporter 0.0552 1 1
Brugia malayi cell division control protein 2 homolog 0.0181 0.2614 0.2055
Loa Loa (eye worm) hypothetical protein 0.0094 0.0881 0.0881
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0094 0.0881 0.0191
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0181 0.2614 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0094 0.0881 0.0191
Loa Loa (eye worm) hypothetical protein 0.0085 0.0703 0.0703
Trypanosoma cruzi cdc2-related kinase 3 0.0181 0.2614 1
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0094 0.0881 0.0191
Loa Loa (eye worm) hypothetical protein 0.0552 1 1
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0181 0.2614 0.2614
Schistosoma mansoni serine/threonine protein kinase 0.0181 0.2614 0.2055
Echinococcus granulosus sodium and chloride dependent glycine 0.0094 0.0881 0.0191
Echinococcus multilocularis cyclin dependent kinase 1 0.0181 0.2614 0.2055
Schistosoma mansoni sodium/chloride dependent transporter 0.0552 1 1
Plasmodium vivax protein kinase Crk2 0.0181 0.2614 1
Echinococcus multilocularis cyclin dependent kinase 0.0181 0.2614 0.2055
Loa Loa (eye worm) hypothetical protein 0.0179 0.2575 0.2575
Trypanosoma cruzi cdc2-related kinase 1 0.0181 0.2614 1
Trichomonas vaginalis CMGC family protein kinase 0.0181 0.2614 1
Plasmodium falciparum protein kinase 5 0.0181 0.2614 1
Brugia malayi hypothetical protein 0.0094 0.0881 0.0191
Trypanosoma cruzi cdc2-related kinase 3 0.0181 0.2614 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0094 0.0881 0.0191
Trypanosoma cruzi cdc2-related kinase 1 0.0181 0.2614 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0094 0.0881 0.0191
Loa Loa (eye worm) hypothetical protein 0.0094 0.0881 0.0881
Schistosoma mansoni sodium/chloride dependent transporter 0.0096 0.0919 0.0232
Trypanosoma brucei cdc2-related kinase 1 0.0181 0.2614 1
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0094 0.0881 0.0191
Echinococcus granulosus cyclin dependent kinase 1 0.0181 0.2614 0.2055
Echinococcus granulosus sodium and chloride dependent glycine 0.0094 0.0881 0.0191
Echinococcus multilocularis sodium and chloride dependent glycine 0.0094 0.0881 0.0191
Loa Loa (eye worm) serotonin transporter b 0.0552 1 1
Trichomonas vaginalis cyclins, putative 0.0085 0.0703 0.2183
Loa Loa (eye worm) hypothetical protein 0.0094 0.0881 0.0881
Treponema pallidum sodium- and chloride- dependent transporter 0.0552 1 0.5
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0094 0.0881 0.5
Echinococcus multilocularis cyclin dependent kinase 1 0.0181 0.2614 0.2055
Echinococcus multilocularis cyclin dependent kinase 5 0.0181 0.2614 0.2055
Loa Loa (eye worm) hypothetical protein 0.0085 0.0703 0.0703
Onchocerca volvulus 0.0094 0.0881 0.0191
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0094 0.0881 0.0881
Onchocerca volvulus 0.0094 0.0881 0.0191
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0181 0.2614 0.2055
Loa Loa (eye worm) hypothetical protein 0.0094 0.0881 0.0881
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0552 1 1
Trichomonas vaginalis cyclins, putative 0.0085 0.0703 0.2183
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0094 0.0881 0.0881
Loa Loa (eye worm) hypothetical protein 0.0094 0.0881 0.0881
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0094 0.0881 0.0191
Trichomonas vaginalis cyclin B, putative 0.0085 0.0703 0.2183
Trichomonas vaginalis CMGC family protein kinase 0.0181 0.2614 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0181 0.2614 0.2614
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0094 0.0881 0.0191
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0094 0.0881 0.0191
Giardia lamblia Kinase, CMGC CDK 0.0181 0.2614 1
Onchocerca volvulus 0.0094 0.0881 0.0191
Onchocerca volvulus 0.0552 1 1
Trichomonas vaginalis cyclin B, putative 0.0085 0.0703 0.2183
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0094 0.0881 0.0191
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0094 0.0881 0.0191
Loa Loa (eye worm) hypothetical protein 0.0094 0.0881 0.0881
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0094 0.0881 0.0191
Echinococcus granulosus serotonin transporter 0.0552 1 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0094 0.0881 0.0191
Schistosoma mansoni sodium/chloride dependent transporter 0.0094 0.0881 0.0191
Trichomonas vaginalis cyclin B, putative 0.0085 0.0703 0.2183
Loa Loa (eye worm) hypothetical protein 0.0094 0.0881 0.0881
Schistosoma mansoni serine/threonine protein kinase 0.0181 0.2614 0.2055
Echinococcus multilocularis sodium and chloride dependent glycine 0.0094 0.0881 0.0191
Trypanosoma brucei cdc2-related kinase 3 0.0181 0.2614 1
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0094 0.0881 0.0191
Trichomonas vaginalis CMGC family protein kinase 0.0181 0.2614 1
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0094 0.0881 0.0191
Loa Loa (eye worm) hypothetical protein 0.0552 1 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0094 0.0881 0.0191
Brugia malayi Protein kinase domain containing protein 0.0181 0.2614 0.2055
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0181 0.2614 0.2614
Loa Loa (eye worm) hypothetical protein 0.0552 1 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0094 0.0881 0.0191
Echinococcus granulosus cyclin dependent kinase 0.0181 0.2614 0.2055
Entamoeba histolytica cell division protein kinase 2, putative 0.0181 0.2614 1
Trichomonas vaginalis cyclin B, putative 0.0085 0.0703 0.2183
Echinococcus granulosus cyclin dependent kinase 5 0.0181 0.2614 0.2055
Loa Loa (eye worm) norepinephrine transporter 0.0552 1 1

Activities

No activities found for this compound.

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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