Detailed information for compound 1814679

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 445.274 | Formula: C21H15Cl2FN4O2
  • H donors: 2 H acceptors: 3 LogP: 5.2 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cc(C)c(c(c1)C(=O)N/N=C\c1ccc(cc1)F)NC(=O)c1cccnc1Cl
  • InChi: 1S/C21H15Cl2FN4O2/c1-12-9-14(22)10-17(18(12)27-20(29)16-3-2-8-25-19(16)23)21(30)28-26-11-13-4-6-15(24)7-5-13/h2-11H,1H3,(H,27,29)(H,28,30)/b26-11-
  • InChiKey: ZXBLBMWSFGZZOI-RAWMCFOBSA-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
Entamoeba histolytica cyclin family protein 0.0415 0.0187 0.1835
Entamoeba histolytica cyclin, putative 0.0415 0.0187 0.1835
Trichomonas vaginalis cyclin B, putative 0.0415 0.0187 0.1835
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0415 0.0187 0.0354
Loa Loa (eye worm) hypothetical protein 0.1382 0.3671 0.3671
Schistosoma mansoni cyclin B 0.0573 0.0757 0.0702
Trichomonas vaginalis cyclins, putative 0.0573 0.0757 1
Trichomonas vaginalis cyclins, putative 0.0573 0.0757 1
Schistosoma mansoni cyclins 0.0415 0.0187 0.0129
Leishmania major cyclin 0.0573 0.0757 1
Trypanosoma cruzi cyclin, putative 0.0573 0.0757 1
Trypanosoma cruzi cyclin 6, putative 0.0573 0.0757 1
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0379 0.0059 0.5
Echinococcus multilocularis cyclins 0.0415 0.0187 0.0354
Echinococcus granulosus G1:S specific cyclin D1 0.1382 0.3671 1
Echinococcus multilocularis cyclins 0.0415 0.0187 0.0354
Giardia lamblia G2/mitotic-specific cyclin B 0.0573 0.0757 1
Echinococcus granulosus cyclins 0.0415 0.0187 0.0354
Echinococcus granulosus cyclins 0.0415 0.0187 0.0354
Echinococcus multilocularis cyclin B3 1 0.0415 0.0187 0.0354
Echinococcus multilocularis cyclins 0.0415 0.0187 0.0354
Echinococcus granulosus cyclin B 0.0573 0.0757 0.1932
Schistosoma mansoni serine/threonine protein kinase 0.3139 1 1
Trypanosoma cruzi CYC2-like cyclin, putative 0.0573 0.0757 1
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0573 0.0757 1
Echinococcus multilocularis cyclins 0.0415 0.0187 0.0354
Trichomonas vaginalis conserved hypothetical protein 0.0415 0.0187 0.1835
Schistosoma mansoni cyclin d 0.1382 0.3671 0.3633
Echinococcus granulosus cyclins 0.0415 0.0187 0.0354
Giardia lamblia Cyclin A 0.0415 0.0187 0.1835
Echinococcus multilocularis cyclin b3 0.0415 0.0187 0.0354
Onchocerca volvulus 0.0573 0.0757 0.5
Trichomonas vaginalis cyclin A, putative 0.0573 0.0757 1
Trypanosoma cruzi cyclin, putative 0.0573 0.0757 1
Echinococcus multilocularis cyclins 0.0415 0.0187 0.0354
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0379 0.0059 0.0059
Trichomonas vaginalis cyclins, putative 0.0573 0.0757 1
Plasmodium vivax protein kinase Crk2 0.0379 0.0059 0.5
Echinococcus granulosus cyclin B3 1 0.0415 0.0187 0.0354
Schistosoma mansoni cyclin B3 0.0415 0.0187 0.0129
Entamoeba histolytica cyclin family protein 0.0415 0.0187 0.1835
Brugia malayi Cyclin, N-terminal domain containing protein 0.1382 0.3671 0.3633
Echinococcus granulosus cyclins 0.0415 0.0187 0.0354
Trichomonas vaginalis cyclins, putative 0.0415 0.0187 0.1835
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.3139 1 1
Trichomonas vaginalis cyclin B, putative 0.0573 0.0757 1
Plasmodium falciparum cyclin 0.0415 0.0187 1
Echinococcus granulosus cyclin b3 0.0415 0.0187 0.0354
Trichomonas vaginalis cyclin D, putative 0.0415 0.0187 0.1835
Echinococcus multilocularis cyclins 0.0415 0.0187 0.0354
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0379 0.0059 0.0059
Loa Loa (eye worm) hypothetical protein 0.1282 0.3311 0.3311
Brugia malayi Cyclin, N-terminal domain containing protein 0.0415 0.0187 0.0129
Trichomonas vaginalis cyclin B, putative 0.0573 0.0757 1
Loa Loa (eye worm) hypothetical protein 0.0573 0.0757 0.0757
Trichomonas vaginalis cyclin B3, putative 0.0415 0.0187 0.1835
Echinococcus multilocularis cyclin B 0.0573 0.0757 0.1932
Trypanosoma brucei mitotic cyclin 6 0.0573 0.0757 1
Trichomonas vaginalis cyclin B, putative 0.0573 0.0757 1
Echinococcus multilocularis cyclins 0.0415 0.0187 0.0354
Trichomonas vaginalis cyclin B, putative 0.0573 0.0757 1
Echinococcus granulosus cyclins 0.0415 0.0187 0.0354
Entamoeba histolytica cyclin, putative 0.0573 0.0757 1
Trichomonas vaginalis cyclin D, putative 0.0415 0.0187 0.1835
Loa Loa (eye worm) cyclin domain-containing protein 0.0415 0.0187 0.0187
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0379 0.0059 0.0059
Loa Loa (eye worm) hypothetical protein 0.0573 0.0757 0.0757
Trichomonas vaginalis cyclins, putative 0.0573 0.0757 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0573 0.0757 0.0702
Brugia malayi Cyclin, N-terminal domain containing protein 0.0573 0.0757 0.0702
Echinococcus multilocularis G1:S specific cyclin D1 0.1382 0.3671 1
Giardia lamblia Hypothetical protein 0.0415 0.0187 0.1835
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0415 0.0187 0.0354

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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