Detailed information for compound 955054

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 296.347 | Formula: C15H12N4OS
  • H donors: 1 H acceptors: 2 LogP: 2.91 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccccc1Nc1nc2ccsc2c(=O)n1CC
  • InChi: 1S/C15H12N4OS/c1-2-19-14(20)13-12(7-8-21-13)18-15(19)17-11-6-4-3-5-10(11)9-16/h3-8H,2H2,1H3,(H,17,18)
  • InChiKey: FSHLSXKQTBBNKX-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens phosphodiesterase 7A Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus high affinity cAMP specific 3'5' cyclic Get druggable targets OG5_133100 All targets in OG5_133100
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic Get druggable targets OG5_133100 All targets in OG5_133100

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 cyclin B 0.009 0.1503 0.2198
Echinococcus multilocularis cyclin B 0.009 0.1503 0.1397
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic 0.0468 1 1
Loa Loa (eye worm) cyclin domain-containing protein 0.019 0.3748 0.5778
Trichomonas vaginalis cyclin B, putative 0.009 0.1503 1
Plasmodium falciparum cyclin 0.0062 0.0857 1
Loa Loa (eye worm) hypothetical protein 0.009 0.1503 0.2203
Trichomonas vaginalis cyclin B, putative 0.009 0.1503 1
Trichomonas vaginalis cyclins, putative 0.009 0.1503 1
Trypanosoma cruzi CYC2-like cyclin, putative 0.009 0.1503 1
Echinococcus multilocularis cyclin B3 1 0.0062 0.0857 0.0744
Echinococcus granulosus cyclin B 0.009 0.1503 0.1397
Trichomonas vaginalis cyclins, putative 0.0062 0.0857 0.5706
Toxoplasma gondii hypothetical protein 0.0047 0.0524 1
Echinococcus multilocularis cyclins 0.0062 0.0857 0.0744
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.019 0.3748 0.367
Entamoeba histolytica cyclin, putative 0.0062 0.0857 0.5706
Trichomonas vaginalis cyclin B, putative 0.009 0.1503 1
Echinococcus granulosus cyclins 0.0062 0.0857 0.0744
Trichomonas vaginalis cyclins, putative 0.009 0.1503 1
Entamoeba histolytica cyclin family protein 0.0062 0.0857 0.5706
Echinococcus multilocularis cyclins 0.0062 0.0857 0.0744
Trichomonas vaginalis cyclin A, putative 0.009 0.1503 1
Echinococcus multilocularis cyclin b3 0.0062 0.0857 0.0744
Trichomonas vaginalis cyclins, putative 0.0044 0.0453 0.3015
Echinococcus multilocularis cyclins 0.0062 0.0857 0.0744
Echinococcus granulosus cyclins 0.0062 0.0857 0.0744
Echinococcus multilocularis cyclins 0.0062 0.0857 0.0744
Entamoeba histolytica cyclin family protein 0.0062 0.0857 0.5706
Trichomonas vaginalis cyclin B3, putative 0.0062 0.0857 0.5706
Brugia malayi Cyclin, N-terminal domain containing protein 0.019 0.3748 1
Entamoeba histolytica cyclin, putative 0.009 0.1503 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.009 0.1503 0.3806
Schistosoma mansoni hypothetical protein 0.0308 0.6399 1
Echinococcus granulosus G2:mitotic specific cyclin B3 0.019 0.3748 0.367
Trypanosoma cruzi cyclin, putative 0.009 0.1503 1
Trichomonas vaginalis cyclin D, putative 0.0062 0.0857 0.5706
Brugia malayi Cyclin, N-terminal domain containing protein 0.009 0.1503 0.3806
Trichomonas vaginalis cyclins, putative 0.009 0.1503 1
Echinococcus multilocularis snurportin 1 0.0308 0.6399 0.6355
Trichomonas vaginalis cyclin B, putative 0.009 0.1503 1
Echinococcus granulosus cyclins 0.0062 0.0857 0.0744
Loa Loa (eye worm) hypothetical protein 0.009 0.1503 0.2203
Brugia malayi RNA, U transporter 1 0.0082 0.1319 0.3299
Echinococcus multilocularis cyclins 0.0062 0.0857 0.0744
Echinococcus granulosus cyclin b3 0.0062 0.0857 0.0744
Echinococcus granulosus cyclin B3 1 0.0062 0.0857 0.0744
Trichomonas vaginalis cyclins, putative 0.009 0.1503 1
Echinococcus granulosus cyclins 0.0062 0.0857 0.0744
Onchocerca volvulus 0.009 0.1503 0.5
Trypanosoma cruzi cyclin, putative 0.009 0.1503 1
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.009 0.1503 1
Trichomonas vaginalis cyclin D, putative 0.0062 0.0857 0.5706
Echinococcus granulosus snurportin 1 0.0308 0.6399 0.6355
Schistosoma mansoni cyclin B3 0.019 0.3748 0.5776
Trypanosoma brucei mitotic cyclin 6 0.009 0.1503 1
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0857 0.5706
Schistosoma mansoni cyclins 0.0062 0.0857 0.1171
Trichomonas vaginalis cyclin B, putative 0.0062 0.0857 0.5706
Echinococcus multilocularis cyclins 0.0062 0.0857 0.0744
Echinococcus granulosus cyclins 0.0062 0.0857 0.0744
Plasmodium vivax importin-beta 2, putative 0.0029 0.0123 0.5
Trypanosoma cruzi cyclin 6, putative 0.009 0.1503 1
Leishmania major cyclin 0.009 0.1503 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0123 0.0006
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0308 0.6399 1
Echinococcus multilocularis cyclins 0.0062 0.0857 0.0744
Giardia lamblia G2/mitotic-specific cyclin B 0.009 0.1503 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) Inhibition of PDE4B (unknown origin) ChEMBL. 25529739
IC50 (binding) = 2300 nM Inhibition of PDE7A (unknown origin) ChEMBL. 25529739

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.