Detailed information for compound 308916

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 288.775 | Formula: C15H17ClN4
  • H donors: 0 H acceptors: 1 LogP: 2.83 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)C1=NCCN(c2c1c(C)nn2C)C
  • InChi: 1S/C15H17ClN4/c1-10-13-14(11-5-4-6-12(16)9-11)17-7-8-19(2)15(13)20(3)18-10/h4-6,9H,7-8H2,1-3H3
  • InChiKey: BIKRIKSKVRMXBL-UHFFFAOYSA-N  


Substructure search Similarity search

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
Onchocerca volvulus 0.003 0.0027 0.0034
Echinococcus multilocularis geminin 0.0169 0.5332 1
Brugia malayi Pre-SET motif family protein 0.0208 0.6802 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0094 0.2468 0.4629
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0027 0.005
Plasmodium vivax SET domain protein, putative 0.003 0.0027 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0027 0.005
Plasmodium falciparum phd finger protein, putative 0.0029 0 0.5
Echinococcus granulosus L aminoadipate semialdehyde 0.0083 0.2052 0.3848
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0027 0.005
Schistosoma mansoni jumonji/arid domain-containing protein 0.0094 0.2468 0.4629
Mycobacterium ulcerans epoxide hydrolase EphA 0.0167 0.5272 0.4905
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0027 0.005
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0083 0.2052 0.3017
Echinococcus multilocularis L aminoadipate semialdehyde 0.0083 0.2052 0.3848
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0208 0.6802 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0094 0.2468 0.3629
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0027 0.005
Brugia malayi Cytochrome P450 family protein 0.0045 0.0611 0.0899
Loa Loa (eye worm) cytochrome P450 family protein 0.0045 0.0611 0.0899
Schistosoma mansoni jumonji domain containing protein 0.0134 0.401 0.7521
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 1 1
Mycobacterium ulcerans epoxide hydrolase EphE 0.0193 0.6263 1
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0038 0.033 0.0619
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.118 0.1735
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0027 0.005
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0434 0.0814
Onchocerca volvulus 0.0083 0.2052 0.2599
Echinococcus multilocularis sodium channel protein 0.0038 0.033 0.0619
Echinococcus granulosus lysine specific demethylase 5A 0.0094 0.2468 0.4629
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0154 0.4756 0.892
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) 0.0167 0.5272 0.4905
Giardia lamblia Fructose-bisphosphate aldolase 0.0292 1 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0292 1 0.5
Onchocerca volvulus 0.0236 0.7895 1
Schistosoma mansoni hypothetical protein 0.0169 0.5332 1
Treponema pallidum fructose-bisphosphate aldolase 0.0292 1 0.5
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0083 0.2052 0.3848
Loa Loa (eye worm) hypothetical protein 0.003 0.0027 0.0039
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 1 1
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0038 0.033 0.5
Brugia malayi jmjC domain containing protein 0.0094 0.2468 0.3629
Brugia malayi jmjC domain containing protein 0.0154 0.4756 0.6993
Loa Loa (eye worm) hypothetical protein 0.0066 0.1388 0.204
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 1 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.2052 0.3017
Brugia malayi Pre-SET motif family protein 0.003 0.0027 0.0039
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 1 1
Mycobacterium tuberculosis Possible epoxide hydrolase EphE (epoxide hydratase) (arene-oxide hydratase) 0.0193 0.6263 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0027 1
Mycobacterium leprae POSSIBLE EPOXIDE HYDROLASE EPHE (EPOXIDE HYDRATASE) (ARENE-OXIDE HYDRATASE) 0.0193 0.6263 1
Echinococcus granulosus jumonji domain containing protein 0.004 0.0434 0.0814
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0154 0.4756 0.892
Schistosoma mansoni hypothetical protein 0.0169 0.5332 1
Echinococcus granulosus geminin 0.0169 0.5332 1
Echinococcus granulosus sodium channel protein 0.0038 0.033 0.0619
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0027 0.005
Echinococcus multilocularis lysine specific demethylase 5A 0.0094 0.2468 0.4629

Activities

Activity type Activity value Assay description Source Reference
MED (functional) = 0.63 mg kg-1 Time-related potentiation of methamphetamine-induced anorexia in rats at the lowest active dose. ChEMBL. 7328600

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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