Detailed information for compound 1762437

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 448.58 | Formula: C25H28N4O2S
  • H donors: 1 H acceptors: 4 LogP: 4.38 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(c2ccc(cn2)S(=O)(=O)NC(C)C)n(c2c1ccc(c2)C1CCC1)C1CCC1
  • InChi: 1S/C25H28N4O2S/c1-16(2)28-32(30,31)20-10-12-23(27-15-20)25-22(14-26)21-11-9-18(17-5-3-6-17)13-24(21)29(25)19-7-4-8-19/h9-13,15-17,19,28H,3-8H2,1-2H3
  • InChiKey: YYCXZDLUKHOIMS-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
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0239 0.2363 0.5
Giardia lamblia Kinase, PLK 0.0106 0.0674 0.5
Toxoplasma gondii histone arginine methyltransferase PRMT5 0.0531 0.6052 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.0674 0.1852
Loa Loa (eye worm) hypothetical protein 0.0137 0.1071 0.1467
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.0674 0.1852
Onchocerca volvulus Huntingtin homolog 0.0137 0.1071 1
Schistosoma mansoni serine/threonine protein kinase 0.0106 0.0674 0.1088
Brugia malayi serine/threonine-protein kinase plk-2 0.0106 0.0674 0.0548
Entamoeba histolytica Skb1 methyltransferase, putative 0.0531 0.6052 1
Schistosoma mansoni ets-related 0.0246 0.2446 0.4025
Trichomonas vaginalis shk1 kinase-binding protein, putative 0.034 0.3639 1
Trypanosoma cruzi arginine N-methyltransferase, type II, putative 0.034 0.3639 1
Trypanosoma brucei arginine N-methyltransferase, type II 0.034 0.3639 1
Leishmania major arginine N-methyltransferase, type II, putative;with=GeneDB:Tb927.10.640 0.034 0.3639 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0106 0.0674 0.0548
Onchocerca volvulus Serine\/threonine kinase homolog 0.0106 0.0674 0.0851
Plasmodium falciparum protein arginine N-methyltransferase 5, putative 0.0531 0.6052 0.5
Echinococcus granulosus protein arginine N methyltransferase 5 0.0531 0.6052 1
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.0674 0.1852
Echinococcus multilocularis muscleblind protein 1 0.0322 0.3414 0.3166
Loa Loa (eye worm) Skb1 methyltransferase 0.0531 0.6052 1
Echinococcus multilocularis protein arginine N methyltransferase 5 0.0531 0.6052 0.5903
Schistosoma mansoni shk1 kinase-binding protein 0.0531 0.6052 1
Brugia malayi Fli-1 protein 0.0246 0.2446 0.3663
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.0674 0.1852
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.0674 0.1852
Brugia malayi Skb1 methyltransferase family protein 0.0531 0.6052 1
Brugia malayi hypothetical protein 0.0137 0.1071 0.1244
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.0674 0.1852
Onchocerca volvulus Huntingtin homolog 0.0137 0.1071 1
Loa Loa (eye worm) hypothetical protein 0.0322 0.3414 0.5482
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.0674 0.1852
Echinococcus granulosus muscleblind protein 0.0322 0.3414 0.5364
Plasmodium vivax protein arginine N-methyltransferase 5, putative 0.0531 0.6052 0.5
Loa Loa (eye worm) hypothetical protein 0.0322 0.3414 0.5482
Brugia malayi Muscleblind-like protein 0.0322 0.3414 0.5364
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0106 0.0674 0.0788
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0081 0.0363 0.0254
Loa Loa (eye worm) hypothetical protein 0.0137 0.1071 0.1467
Echinococcus multilocularis muscleblind protein 0.0322 0.3414 0.3166
Loa Loa (eye worm) fli-1 protein 0.0246 0.2446 0.3824
Schistosoma mansoni gabp alpha 0.0081 0.0363 0.0572
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0106 0.0674 0.0323
Trichomonas vaginalis shk1 kinase-binding protein, putative 0.034 0.3639 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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