Detailed information for compound 306587

Basic information

Technical information
  • TDR Targets ID: 306587
  • Name: 3-(3,6-dioxo-1H-pyridazin-2-yl)propanethioami de
  • MW: 199.23 | Formula: C7H9N3O2S
  • H donors: 1 H acceptors: 2 LogP: -0.7 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: SC(=N)CCn1[nH]c(=O)ccc1=O
  • InChi: 1S/C7H9N3O2S/c8-5(13)3-4-10-7(12)2-1-6(11)9-10/h1-2H,3-4H2,(H2,8,13)(H,9,11)
  • InChiKey: KJXLNMVQIZZAKR-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-(3,6-diketo-1H-pyridazin-2-yl)thiopropionamide
  • 3-(3,6-dioxo-2H-pyridazin-1-yl)propanethioamide
  • 3-(3,6-diketo-2H-pyridazin-1-yl)thiopropionamide

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
Schistosoma mansoni plasma membrane calcium-transporting atpase 0.0089 0.1128 0.0124
Schistosoma mansoni sodium / potassium ATPase beta chain 0.0415 1 1
Loa Loa (eye worm) hypothetical protein 0.0162 0.3125 0.3125
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0085 0.1017 0.9005
Loa Loa (eye worm) calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type 0.0056 0.024 0.024
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0415 1 1
Trypanosoma brucei vacuolar-type Ca2+-ATPase, putative 0.0085 0.1017 0.9005
Echinococcus granulosus nervana 2 0.0415 1 1
Echinococcus granulosus nervana 2 0.0415 1 1
Plasmodium vivax calcium-transporting ATPase, putative 0.0092 0.121 0.5
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0092 0.121 1
Echinococcus granulosus plasma membrane calcium transporting ATPase 0.0089 0.1128 0.0124
Loa Loa (eye worm) hypothetical protein 0.0415 1 1
Echinococcus multilocularis sodium:potassium transporting ATPase subunit 0.0415 1 1
Loa Loa (eye worm) sodium/potassium-transporting ATPase subunit alpha 0.0184 0.372 0.372
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0085 0.1017 0.9005
Toxoplasma gondii calcium-translocating P-type ATPase, PMCA-type protein 0.0085 0.1017 0.8393
Onchocerca volvulus 0.0415 1 1
Echinococcus granulosus Ca2 transporting ATPase plasma membrane 0.0089 0.1128 0.0124
Leishmania major calcium-translocating P-type ATPase 0.0085 0.1017 0.9005
Mycobacterium ulcerans metal cation-transporting p-type ATPase F, CtpF 0.0092 0.121 0.2523
Echinococcus multilocularis Ca2+ transporting ATPase plasma membrane 0.0089 0.1128 0.0124
Echinococcus granulosus sodium:potassium transporting ATPase subunit 0.0415 1 1
Brugia malayi Membrane calcium atpase protein 3 0.0089 0.1128 0.2448
Trichomonas vaginalis cation-transporting ATPase, putative 0.0085 0.1017 0.8393
Echinococcus granulosus nervana 2 0.0415 1 1
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0415 1 1
Trypanosoma cruzi Calcium ATPase SERCA-like 0.0085 0.1017 0.9005
Toxoplasma gondii P-type ATPase4, putative 0.0092 0.121 1
Entamoeba histolytica plasma membrane calcium ion-transporting ATPase, putative 0.0052 0.0121 0.0998
Trypanosoma brucei vacuolar-type Ca2+-ATPase 2 0.0085 0.1017 0.9005
Brugia malayi Sodium/potassium-transporting ATPase alpha chain, putative 0.0184 0.372 0.8072
Trichomonas vaginalis cation-transporting ATPase, putative 0.0085 0.1017 0.8393
Schistosoma mansoni Na+/K+ transporting ATPase subunit alpha 0.0217 0.4609 0.3999
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0415 1 1
Brugia malayi E1-E2 ATPase family protein 0.0055 0.0202 0.0439
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0415 1 1
Echinococcus granulosus calcium transporting ATPase type 2C member 0.0092 0.121 0.0215
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0089 0.1128 1
Echinococcus multilocularis nervana 2 0.0415 1 1
Brugia malayi Probable calcium-transporting ATPase KIAA0703 0.0056 0.024 0.052
Echinococcus multilocularis nervana 2 0.0415 1 1
Leishmania major calcium-transporting ATPase, putative 0.0089 0.1128 1
Echinococcus multilocularis calcium transporting atpase 0.0089 0.1128 0.0124
Echinococcus granulosus calcium transporting atpase 0.0089 0.1128 0.0124
Leishmania major P-type ATPase, putative 0.0089 0.1128 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.1017 0.1017
Loa Loa (eye worm) E1-E2 ATPase 0.0047 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0125 0.2117 0.2117
Brugia malayi Na,K-ATPase alpha subunit 0.0217 0.4609 1
Mycobacterium tuberculosis Possible metal cation transporting P-type ATPase CtpH 0.0052 0.0128 0.5
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0085 0.1017 0.8393
Loa Loa (eye worm) hypothetical protein 0.0415 1 1
Echinococcus multilocularis Tetracycline resistance leader peptide, TetL 0.0092 0.121 0.0215
Trypanosoma brucei vacuolar-type Ca2+-ATPase 1 0.0085 0.1017 0.9005
Echinococcus multilocularis nervana 2 0.0415 1 1
Schistosoma mansoni transmemberane protein 0.0415 1 1
Trichomonas vaginalis cation-transporting ATPase, putative 0.0085 0.1017 0.8393
Leishmania major vacuolar-type Ca2 -ATPase, putative 0.0085 0.1017 0.9005
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0085 0.1017 0.8406
Echinococcus multilocularis Na+:K+ ATPase alpha subunit 0.0214 0.4528 0.3908
Mycobacterium ulcerans metal cation transporter p-type ATPase a 0.0209 0.4416 1
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0415 1 1
Echinococcus granulosus nervana 2 0.0415 1 1
Leishmania major calcium motive p-type ATPase, putative 0.0089 0.1128 1
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0085 0.1017 0.8406
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0415 1 1
Schistosoma mansoni plasma membrane calcium-transporting atpase 0.0089 0.1128 0.0124
Schistosoma mansoni calcium-transporting atpase 2 (atpase 2) 0.0089 0.1128 0.0124
Plasmodium vivax P-type ATPase4, putative 0.0092 0.121 0.5
Schistosoma mansoni calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump) 0.0089 0.1128 0.0124
Mycobacterium leprae PROBABLE CATION-TRANSPORTER ATPASE I CTPI 0.0177 0.3527 0.5
Loa Loa (eye worm) Na,K-ATPase alpha subunit 0.0217 0.4609 0.4609
Loa Loa (eye worm) hypothetical protein 0.0217 0.4609 0.4609
Brugia malayi Calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type 0.0089 0.1128 0.2448
Entamoeba histolytica calcium-transporting P-type ATPase, putative 0.0092 0.121 1
Trypanosoma brucei calcium motive p-type ATPase, putative 0.0089 0.1128 1
Trypanosoma cruzi calcium-transporting ATPase, putative 0.0056 0.024 0.2058
Toxoplasma gondii plasma membrane-type Ca(2+)-ATPase A1 PMCAA1 0.0089 0.1128 0.9321
Schistosoma mansoni calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump) 0.0089 0.1128 0.0124
Echinococcus multilocularis plasma membrane calcium transporting ATPase 0.0089 0.1128 0.0124
Echinococcus granulosus plasma membrane calcium transporting ATPase 2 0.0092 0.121 0.0215
Echinococcus granulosus Na:K ATPase alpha subunit 0.0214 0.4528 0.3908
Leishmania major vacuolar-type Ca2 -ATPase, putative 0.0085 0.1017 0.9005
Onchocerca volvulus 0.0415 1 1
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0415 1 1
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0415 1 1
Giardia lamblia Plasma membrane calcium-transporting ATPase 2 0.0085 0.1017 0.0227
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0085 0.1017 0.8393
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0089 0.1128 0.9321
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0085 0.1017 0.8406
Trichomonas vaginalis cation-transporting ATPase fungi, putative 0.0085 0.1017 0.8393
Toxoplasma gondii sarco/endoplasmic reticulum Ca2+-ATPase 0.0092 0.121 1
Schistosoma mansoni na+/k+ atpase alpha subunit 0.0214 0.4528 0.3908
Echinococcus multilocularis calcium transporting ATPase type 2C member 0.0092 0.121 0.0215
Loa Loa (eye worm) hypothetical protein 0.0056 0.024 0.024
Giardia lamblia Potassium-transporting ATPase alpha chain 1 0.0214 0.4528 1
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0085 0.1017 0.8393
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0089 0.1128 1
Echinococcus multilocularis nervana 2 0.0415 1 1
Loa Loa (eye worm) hypothetical protein 0.014 0.252 0.252
Plasmodium falciparum non-SERCA-type Ca2+ -transporting P-ATPase 0.0092 0.121 1
Trypanosoma brucei calcium-translocating P-type ATPase 0.0089 0.1128 1
Trypanosoma brucei calcium-transporting ATPase, putative 0.0056 0.024 0.2058
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0085 0.1017 0.8393

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = -13.4 % Inhibition of gastric antisecretory activity in the pylorus-ligated rat at a dose of 100 mg/kg administered intraduodenally ChEMBL. 6126589

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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