Detailed information for compound 152761

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 193.246 | Formula: C10H15N3O
  • H donors: 0 H acceptors: 2 LogP: 1.19 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1noc(n1)[C@@H]1C[C@H]2CCN(C1)C2
  • InChi: 1S/C10H15N3O/c1-7-11-10(14-12-7)9-4-8-2-3-13(5-8)6-9/h8-9H,2-6H2,1H3/t8-,9-/m1/s1
  • InChiKey: AFZFYJYDVFKCOK-RKDXNWHRSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Muscarinic acetylcholine receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) Muscarinic acetylcholine receptor   466 aa 461 aa 26.0 %
Schistosoma mansoni biogenic amine receptor Muscarinic acetylcholine receptor   466 aa 484 aa 24.4 %
Schistosoma mansoni growth hormone secretagogue receptor Muscarinic acetylcholine receptor   466 aa 462 aa 19.9 %
Echinococcus granulosus g protein coupled receptor Muscarinic acetylcholine receptor   466 aa 480 aa 18.5 %
Schistosoma mansoni biogenic amine receptor Muscarinic acetylcholine receptor   466 aa 463 aa 24.2 %
Onchocerca volvulus RB1-inducible coiled-coil protein 1 homolog Muscarinic acetylcholine receptor   466 aa 505 aa 26.9 %
Schistosoma japonicum Octopamine receptor 1, putative Muscarinic acetylcholine receptor   466 aa 412 aa 22.6 %
Schistosoma japonicum Octopamine receptor, putative Muscarinic acetylcholine receptor   466 aa 462 aa 26.8 %
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor Muscarinic acetylcholine receptor   466 aa 510 aa 29.8 %
Loa Loa (eye worm) TYRA-2 protein Muscarinic acetylcholine receptor   466 aa 497 aa 24.7 %
Onchocerca volvulus Muscarinic acetylcholine receptor   466 aa 472 aa 24.6 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Muscarinic acetylcholine receptor   466 aa 461 aa 23.9 %
Echinococcus granulosus alpha 1A adrenergic receptor Muscarinic acetylcholine receptor   466 aa 459 aa 20.0 %
Onchocerca volvulus Glycoprotein hormone beta 5 homolog Muscarinic acetylcholine receptor   466 aa 493 aa 34.7 %
Echinococcus multilocularis alpha 1A adrenergic receptor Muscarinic acetylcholine receptor   466 aa 459 aa 21.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0048 0.0853 0.5
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.042 0.9891 1
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.042 0.9891 0.9891
Loa Loa (eye worm) hypothetical protein 0.0425 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0611 0.0611
Echinococcus multilocularis serotonin transporter 0.0425 1 1
Onchocerca volvulus 0.0072 0.1443 0.0645
Loa Loa (eye worm) hypothetical protein 0.0072 0.1443 0.1443
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0044 0.075 0.075
Loa Loa (eye worm) hypothetical protein 0.0425 1 1
Loa Loa (eye worm) serotonin transporter b 0.0425 1 1
Brugia malayi diaphorase 0.0048 0.0853 0.0853
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0072 0.1443 0.1443
Trichomonas vaginalis sulfite reductase, putative 0.042 0.9891 1
Leishmania major cytochrome P450 reductase, putative 0.0372 0.8731 0.8717
Schistosoma mansoni NADH-cytochrome B5 reductase 0.0048 0.0853 0.0853
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0072 0.1443 0.1443
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.042 0.9891 0.9891
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0259 0.599 0.599
Toxoplasma gondii hypothetical protein 0.0072 0.1443 0.1513
Entamoeba histolytica type A flavoprotein, putative 0.0161 0.3594 0.5
Schistosoma mansoni cytochrome B5 0.0048 0.0853 0.0853
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0072 0.1443 0.1443
Chlamydia trachomatis sulfite reductase 0.0259 0.599 1
Echinococcus multilocularis NADH cytochrome b5 reductase 3 0.0048 0.0853 0.0853
Brugia malayi flavodoxin family protein 0.042 0.9891 0.9891
Plasmodium falciparum transporter, putative 0.0072 0.1443 0.0653
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0072 0.1443 0.1443
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0072 0.1443 0.1443
Schistosoma mansoni sodium/chloride dependent transporter 0.0072 0.1443 0.1443
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0161 0.3594 0.3163
Giardia lamblia Hypothetical protein 0.0372 0.8731 1
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.042 0.9891 1
Brugia malayi FAD binding domain containing protein 0.042 0.9891 0.9891
Mycobacterium tuberculosis Probable monooxygenase 0.0048 0.0853 0.5
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0161 0.3594 0.3033
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.042 0.9891 1
Mycobacterium tuberculosis Possible oxygenase 0.0048 0.0853 0.5
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0072 0.1443 0.1513
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0072 0.1443 0.1443
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.042 0.9891 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.1443 0.1443
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0072 0.1443 0.1443
Loa Loa (eye worm) hypothetical protein 0.0072 0.1443 0.1443
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0072 0.1443 0.1443
Echinococcus multilocularis methionine synthase reductase 0.0259 0.599 0.599
Trypanosoma brucei S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0161 0.3594 0.3033
Schistosoma mansoni sodium/chloride dependent transporter 0.0072 0.1443 0.1443
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0072 0.1443 0.1443
Loa Loa (eye worm) diaphorase 0.0048 0.0853 0.0853
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0072 0.1443 0.1443
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0372 0.8731 0.8741
Giardia lamblia Nitric oxide synthase, inducible 0.0372 0.8731 1
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0161 0.3594 0.3163
Plasmodium falciparum amino acid transporter, putative 0.0072 0.1443 0.0653
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.042 0.9891 0.9891
Entamoeba histolytica type A flavoprotein, putative 0.0161 0.3594 0.5
Loa Loa (eye worm) hypothetical protein 0.0072 0.1443 0.1443
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0072 0.1443 0.1443
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.042 0.9891 1
Trypanosoma cruzi NADPH--cytochrome P450 reductase, putative 0.0161 0.3594 0.3033
Plasmodium falciparum NADPH--cytochrome P450 reductase, putative 0.0161 0.3594 0.3033
Entamoeba histolytica type A flavoprotein, putative 0.0161 0.3594 0.5
Loa Loa (eye worm) FAD binding domain-containing protein 0.042 0.9891 0.9891
Echinococcus multilocularis sodium and chloride dependent glycine 0.0072 0.1443 0.1443
Trypanosoma cruzi cytochrome P450 reductase, putative 0.042 0.9891 1
Schistosoma mansoni voltage-gated potassium channel 0.0048 0.0847 0.0847
Mycobacterium tuberculosis Hypothetical oxidoreductase 0.0048 0.0853 0.5
Loa Loa (eye worm) hypothetical protein 0.0294 0.6842 0.6842
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0072 0.1443 0.1513
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0161 0.3594 0.3163
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0044 0.075 0.075
Plasmodium falciparum S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0161 0.3594 0.3033
Leishmania major p450 reductase, putative 0.042 0.9891 1
Trypanosoma cruzi p450 reductase, putative 0.042 0.9891 1
Plasmodium vivax amine transporter, putative 0.0072 0.1443 0.0653
Loa Loa (eye worm) norepinephrine transporter 0.0425 1 1
Treponema pallidum flavodoxin 0.0161 0.3594 0.2997
Echinococcus granulosus NADH cytochrome b5 reductase 3 0.0048 0.0853 0.0853
Loa Loa (eye worm) solute carrier family 6 member 4 0.0425 1 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0425 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0048 0.0853 0.5
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0072 0.1443 0.1443
Onchocerca volvulus 0.0425 1 1
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0072 0.1443 0.1443
Loa Loa (eye worm) flavodoxin family protein 0.0161 0.3594 0.3594
Schistosoma mansoni cytochrome P450 reductase 0.042 0.9891 0.9891
Brugia malayi FAD binding domain containing protein 0.0259 0.599 0.599
Echinococcus granulosus cytochrome b5 reductase 4 0.0048 0.0853 0.0853
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0072 0.1443 0.1443
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0044 0.075 0.075
Plasmodium vivax hypothetical protein, conserved 0.0161 0.3594 0.3033
Brugia malayi flavodoxin family protein 0.0161 0.3594 0.3594
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0072 0.1443 0.1443
Toxoplasma gondii flavodoxin domain-containing protein 0.0208 0.4754 1
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0072 0.1443 0.1149
Echinococcus granulosus methionine synthase reductase 0.0259 0.599 0.599
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0072 0.1443 0.1443
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0072 0.1443 0.1443
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.042 0.9891 1
Loa Loa (eye worm) hypothetical protein 0.0425 1 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0072 0.1443 0.1443
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0072 0.1443 0.1443
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0161 0.3594 0.3163
Toxoplasma gondii hypothetical protein 0.0072 0.1443 0.1513
Schistosoma mansoni diflavin oxidoreductase 0.0208 0.4754 0.4754
Loa Loa (eye worm) hypothetical protein 0.042 0.9891 0.9891
Loa Loa (eye worm) hypothetical protein 0.0072 0.1443 0.1443
Schistosoma mansoni sodium/chloride dependent transporter 0.0425 1 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.0072 0.1443 0.1443
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0161 0.3594 0.3033
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0072 0.1443 0.1443
Brugia malayi hypothetical protein 0.0072 0.1443 0.1443
Echinococcus granulosus sodium and chloride dependent glycine 0.0072 0.1443 0.1443
Loa Loa (eye worm) cytochrome b5 reductase 4 0.0048 0.0853 0.0853
Onchocerca volvulus 0.0072 0.1443 0.0645
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0072 0.1443 0.1443
Echinococcus granulosus cytochrome b5 reductase 4 0.0048 0.0853 0.0853
Echinococcus granulosus NADPH cytochrome P450 reductase 0.042 0.9891 0.9891
Brugia malayi Cytochrome b5-like Heme/Steroid binding domain containing protein 0.0048 0.0853 0.0853
Loa Loa (eye worm) FAD binding domain-containing protein 0.0259 0.599 0.599
Plasmodium vivax hypothetical protein, conserved 0.0072 0.1443 0.0653
Toxoplasma gondii flavodoxin domain-containing protein 0.0208 0.4754 1
Echinococcus granulosus serotonin transporter 0.0425 1 1
Echinococcus granulosus sodium and chloride dependent glycine 0.0072 0.1443 0.1443
Plasmodium falciparum nitric oxide synthase, putative 0.042 0.9891 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0072 0.1443 0.1513
Schistosoma mansoni voltage-gated potassium channel 0.0048 0.0847 0.0847
Trypanosoma cruzi cytochrome P450 reductase, putative 0.042 0.9891 1
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.042 0.9891 1
Echinococcus multilocularis cytochrome b5 reductase 4 0.0048 0.0853 0.0853
Entamoeba histolytica type A flavoprotein, putative 0.0161 0.3594 0.5
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0044 0.075 0.075
Treponema pallidum sodium- and chloride- dependent transporter 0.0425 1 1
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.042 0.9891 1
Plasmodium vivax flavodoxin domain containing protein 0.0372 0.8731 0.8717
Schistosoma mansoni sodium-dependent amino acid transporter 0.0072 0.1443 0.1443
Leishmania major hypothetical protein, conserved 0.0161 0.3594 0.3033
Loa Loa (eye worm) hypothetical protein 0.0072 0.1443 0.1443
Onchocerca volvulus 0.0072 0.1443 0.0645
Entamoeba histolytica type A flavoprotein, putative 0.0161 0.3594 0.5
Loa Loa (eye worm) hypothetical protein 0.0072 0.1443 0.1443
Schistosoma mansoni NADPH flavin oxidoreductase 0.0212 0.4831 0.4831

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 28 nM The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]-oxotremorine-M from rat cerebral cortex; Value ranges from 25-31 ChEMBL. 1895293
IC50 (binding) = 28 nM The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]-oxotremorine-M from rat cerebral cortex; Value ranges from 25-31 ChEMBL. 1895293
IC50 (binding) = 2400 nM The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]-quinuclidinyl benzilate from rat cerebral cortex; Value ranges from 1800-3000 ChEMBL. 1895293
IC50 (binding) = 2400 nM The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]-quinuclidinyl benzilate from rat cerebral cortex; Value ranges from 1800-3000 ChEMBL. 1895293
Ratio (binding) = 84 Relative binding of QNB and OXO-M to muscarininc receptors (ratio of IC50) ChEMBL. 1895293

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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