Detailed information for compound 305407

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 251.287 | Formula: C14H13N5
  • H donors: 0 H acceptors: 3 LogP: 2.55 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1nc2ncnn2c2c1CCN2c1ccccc1
  • InChi: 1S/C14H13N5/c1-10-12-7-8-18(11-5-3-2-4-6-11)13(12)19-14(17-10)15-9-16-19/h2-6,9H,7-8H2,1H3
  • InChiKey: FMNRKJBVWSWGJP-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
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0038 0.1227 0.8711
Schistosoma mansoni transmemberane protein 0.0157 1 1
Plasmodium falciparum non-SERCA-type Ca2+ -transporting P-ATPase 0.004 0.1409 1
Brugia malayi Na,K-ATPase alpha subunit 0.0084 0.4611 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.1646 0.1646
Trypanosoma brucei vacuolar-type Ca2+-ATPase, putative 0.0038 0.1227 1
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0038 0.1227 0.8711
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0038 0.1227 0.8659
Leishmania major calcium-transporting ATPase, putative 0.0038 0.1209 0.9844
Trypanosoma brucei vacuolar-type Ca2+-ATPase 2 0.0038 0.1227 1
Echinococcus multilocularis nervana 2 0.0157 1 1
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0157 1 1
Plasmodium vivax calcium-transporting ATPase, putative 0.004 0.1409 0.5
Onchocerca volvulus 0.0157 1 1
Trichomonas vaginalis cation-transporting ATPase, putative 0.0038 0.1227 0.8659
Schistosoma mansoni Na+/K+ transporting ATPase subunit alpha 0.0084 0.4611 0.3869
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0157 1 1
Brugia malayi E1-E2 ATPase family protein 0.0024 0.0236 0.0511
Loa Loa (eye worm) sodium/potassium-transporting ATPase subunit alpha 0.007 0.3576 0.3576
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0157 1 1
Trichomonas vaginalis cation-transporting ATPase, putative 0.0038 0.1227 0.8659
Entamoeba histolytica calcium-transporting P-type ATPase, putative 0.004 0.1409 1
Schistosoma mansoni sodium / potassium ATPase beta chain 0.0157 1 1
Giardia lamblia Plasma membrane calcium-transporting ATPase 2 0.0038 0.1227 0.0591
Echinococcus multilocularis nervana 2 0.0157 1 1
Trichomonas vaginalis cation-transporting ATPase fungi, putative 0.0038 0.1227 0.8659
Leishmania major P-type ATPase, putative 0.0038 0.1209 0.9844
Trypanosoma brucei calcium-translocating P-type ATPase 0.0038 0.1209 0.9844
Onchocerca volvulus 0.0157 1 1
Brugia malayi Calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type 0.0038 0.1209 0.2622
Schistosoma mansoni ATPase 0.0038 0.1227 0.0021
Plasmodium vivax P-type ATPase4, putative 0.004 0.1409 0.5
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0038 0.1209 0.9844
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0157 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.1227 0.1227
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0157 1 1
Brugia malayi Sodium/potassium-transporting ATPase alpha chain, putative 0.007 0.3576 0.7755
Brugia malayi Membrane calcium atpase protein 3 0.0038 0.1209 0.2622
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0157 1 1
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0157 1 1
Echinococcus granulosus nervana 2 0.0157 1 1
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0038 0.1209 0.8524
Echinococcus granulosus calcium transporting ATPase type 2C member 0.004 0.1409 0.0228
Toxoplasma gondii sarco/endoplasmic reticulum Ca2+-ATPase 0.004 0.1409 1
Schistosoma mansoni ATPase 0.0038 0.1227 0.0021
Echinococcus granulosus nervana 2 0.0157 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.282 0.282
Trypanosoma cruzi Calcium ATPase SERCA-like 0.0038 0.1227 1
Mycobacterium tuberculosis Possible metal cation transporting P-type ATPase CtpH 0.0024 0.0192 0.5
Echinococcus granulosus sarco:endoplasmic reticulum calcium ATPase 0.0038 0.1227 0.0021
Loa Loa (eye worm) E1-E2 ATPase 0.0022 0.0054 0.0054
Mycobacterium ulcerans metal cation-transporting p-type ATPase F, CtpF 0.004 0.1409 0.2872
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0038 0.1227 0.8659
Loa Loa (eye worm) hypothetical protein 0.0051 0.222 0.222
Trypanosoma brucei vacuolar-type Ca2+-ATPase 1 0.0038 0.1227 1
Echinococcus multilocularis sodium:potassium transporting ATPase subunit 0.0157 1 1
Schistosoma mansoni na+/k+ atpase alpha subunit 0.0081 0.4411 0.3642
Echinococcus multilocularis Na+:K+ ATPase alpha subunit 0.0081 0.4411 0.3642
Entamoeba histolytica plasma membrane calcium ion-transporting ATPase, putative 0.0022 0.0036 0.0252
Echinococcus granulosus plasma membrane calcium transporting ATPase 2 0.004 0.1409 0.0228
Trichomonas vaginalis cation-transporting ATPase, putative 0.0038 0.1227 0.8659
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0038 0.1227 0.8711
Echinococcus multilocularis nervana 2 0.0157 1 1
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0157 1 1
Trypanosoma brucei calcium-transporting ATPase, putative 0.0024 0.0174 0.1024
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0038 0.1227 0.8659
Toxoplasma gondii P-type ATPase4, putative 0.004 0.1409 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0174 0.0174
Echinococcus multilocularis calcium transporting ATPase type 2C member 0.004 0.1409 0.0228
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0038 0.1227 0.8659
Echinococcus granulosus nervana 2 0.0157 1 1
Mycobacterium ulcerans metal cation transporter p-type ATPase a 0.0081 0.4429 1
Toxoplasma gondii plasma membrane-type Ca(2+)-ATPase A1 PMCAA1 0.0038 0.1209 0.8524
Trypanosoma brucei calcium motive p-type ATPase, putative 0.0038 0.1209 0.9844
Leishmania major calcium motive p-type ATPase, putative 0.0038 0.1209 0.9844
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0038 0.1209 0.9844
Loa Loa (eye worm) Na,K-ATPase alpha subunit 0.0084 0.4611 0.4611
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.004 0.1409 1
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0038 0.1227 1
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0038 0.1227 1
Mycobacterium leprae PROBABLE CATION-TRANSPORTER ATPASE I CTPI 0.0067 0.3394 0.5
Echinococcus multilocularis Tetracycline resistance leader peptide, TetL 0.004 0.1409 0.0228
Loa Loa (eye worm) hypothetical protein 0.0084 0.4611 0.4611
Loa Loa (eye worm) hypothetical protein 0.0157 1 1
Trypanosoma cruzi calcium-transporting ATPase, putative 0.0024 0.0174 0.1024
Leishmania major vacuolar-type Ca2 -ATPase, putative 0.0038 0.1227 1
Leishmania major vacuolar-type Ca2 -ATPase, putative 0.0038 0.1227 1
Echinococcus granulosus sodium:potassium transporting ATPase subunit 0.0157 1 1
Giardia lamblia Potassium-transporting ATPase alpha chain 1 0.0081 0.4411 1
Loa Loa (eye worm) hypothetical protein 0.0157 1 1
Echinococcus multilocularis sarco:endoplasmic reticulum calcium ATPase 0.0038 0.1227 0.0021
Echinococcus granulosus Na:K ATPase alpha subunit 0.0081 0.4411 0.3642
Loa Loa (eye worm) calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type 0.0024 0.0174 0.0174
Toxoplasma gondii calcium-translocating P-type ATPase, PMCA-type protein 0.0038 0.1227 0.8659
Brugia malayi Probable calcium-transporting ATPase KIAA0703 0.0024 0.0174 0.0378
Echinococcus granulosus nervana 2 0.0157 1 1
Echinococcus multilocularis nervana 2 0.0157 1 1
Leishmania major calcium-translocating P-type ATPase 0.0038 0.1227 1

Activities

Activity type Activity value Assay description Source Reference
HI (functional) = 15 Hypotensive index (HI) measured as the area under the time-hypotensive response curve for 6-h period at 30mg/kg,po ChEMBL. 7401118
IVP (functional) = 72 Integrated vasodilating potency (IVP) (the product of compound-induced maximum percent decrease in the perfusion pressure and the duration of the effect in minutes at 100 ug (ia)) ChEMBL. 7401118

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.

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