TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 301.425 | Formula: C22H23N
H donors: 0 H acceptors: 0 LogP: 5.78 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CN1CCCCC1/C=C/c1c2ccccc2cc2c1cccc2
InChi: 1S/C22H23N/c1-23-15-7-6-10-19(23)13-14-22-20-11-4-2-8-17(20)16-18-9-3-5-12-21(18)22/h2-5,8-9,11-14,16,19H,6-7,10,15H2,1H3/b14-13+
InChiKey: HSNXYFHBWRGJNE-BUHFOSPRSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	cholinergic receptor, muscarinic 1	Starlite/ChEMBL	No references
Rattus norvegicus	Muscarinic acetylcholine receptor M2	Starlite/ChEMBL	No 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	growth hormone secretagogue receptor	Muscarinic acetylcholine receptor M2	466 aa	462 aa	19.9 %
Echinococcus granulosus	alpha 1A adrenergic receptor	Muscarinic acetylcholine receptor M2	466 aa	459 aa	20.0 %
Schistosoma japonicum	ko:K04145 dopamine receptor D2, putative	Muscarinic acetylcholine receptor M2	466 aa	461 aa	23.9 %
Schistosoma japonicum	Octopamine receptor 1, putative	Muscarinic acetylcholine receptor M2	466 aa	412 aa	22.6 %
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	Muscarinic acetylcholine receptor M2	466 aa	461 aa	26.0 %
Schistosoma mansoni	biogenic amine receptor	Muscarinic acetylcholine receptor M2	466 aa	463 aa	24.2 %
Echinococcus multilocularis	alpha 1A adrenergic receptor	Muscarinic acetylcholine receptor M2	466 aa	459 aa	21.1 %
Loa Loa (eye worm)	TYRA-2 protein	Muscarinic acetylcholine receptor M2	466 aa	497 aa	24.7 %
Onchocerca volvulus		Muscarinic acetylcholine receptor M2	466 aa	472 aa	24.6 %
Schistosoma japonicum	Octopamine receptor, putative	Muscarinic acetylcholine receptor M2	466 aa	462 aa	26.8 %
Onchocerca volvulus	RB1-inducible coiled-coil protein 1 homolog	Muscarinic acetylcholine receptor M2	466 aa	505 aa	26.9 %
Schistosoma mansoni	biogenic amine receptor	Muscarinic acetylcholine receptor M2	466 aa	484 aa	24.4 %
Echinococcus granulosus	g protein coupled receptor	Muscarinic acetylcholine receptor M2	466 aa	480 aa	18.5 %
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	Muscarinic acetylcholine receptor M2	466 aa	510 aa	29.8 %
Onchocerca volvulus	Glycoprotein hormone beta 5 homolog	Muscarinic acetylcholine receptor M2	466 aa	493 aa	34.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.045	0.3432
Entamoeba histolytica	hypothetical protein	0.0036	0.1002	1
Onchocerca volvulus		0.0006	0	0.5
Brugia malayi	Bloom's syndrome protein homolog	0.0024	0.0606	0.24
Trichomonas vaginalis	ran, putative	0.0021	0.0514	0.751
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.045	0.3432
Echinococcus granulosus	dna polymerase eta	0.0045	0.1294	0.1294
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0236	0.1762
Trypanosoma brucei	unspecified product	0.0013	0.0252	0.1887
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0252	0.1887
Entamoeba histolytica	hypothetical protein	0.0024	0.0586	0.456
Leishmania major	hypothetical protein, conserved	0.0025	0.0646	0.4955
Echinococcus multilocularis	bloom syndrome protein	0.0024	0.0606	0.0606
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.045	0.3432
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.045	0.3432
Brugia malayi	polk-prov protein	0.0006	0.001	0.0039
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.001	0.014	0.014
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.045	0.1783
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.045	0.3432
Onchocerca volvulus		0.0006	0	0.5
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0016	0.0343	0.3945
Entamoeba histolytica	hypothetical protein	0.0036	0.1002	1
Schistosoma mansoni	hypothetical protein	0.0036	0.1002	0.1002
Brugia malayi	TAR-binding protein	0.0064	0.1908	0.7556
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.031	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.045	0.3432
Echinococcus granulosus	dna polymerase kappa	0.0019	0.045	0.045
Echinococcus multilocularis	tar DNA binding protein	0.0064	0.1908	0.1908
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.1002	0.1002
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.045	0.3432
Schistosoma mansoni	importin beta-1	0.0029	0.0766	0.0766
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0236	0.1762
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.045	0.3432
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0252	0.1887
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.045	0.3432
Brugia malayi	RNA binding protein	0.0064	0.1908	0.7556
Schistosoma mansoni	DNA helicase recq5	0.001	0.014	0.014
Schistosoma mansoni	hypothetical protein	0.0171	0.542	0.542
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0021	0.0514	0.0514
Loa Loa (eye worm)	RecQ helicase	0.0024	0.0606	0.0606
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0011	0.0186	0.0186
Echinococcus granulosus	importin subunit beta 1	0.0029	0.0766	0.0766
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0646	0.7544
Onchocerca volvulus		0.0006	0	0.5
Schistosoma mansoni	DNA polymerase eta	0.0045	0.1294	0.1294
Trypanosoma brucei	DNA polymerase eta, putative	0.0045	0.1294	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.045	0.3432
Onchocerca volvulus		0.0006	0	0.5
Leishmania major	GTP-binding protein, putative	0.0021	0.0514	0.3928
Echinococcus multilocularis	dna polymerase eta	0.0045	0.1294	0.1294
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.1908	0.7556
Onchocerca volvulus		0.0006	0	0.5
Giardia lamblia	Sgs1 DNA helicase, putative	0.001	0.014	0.2573
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.1002	0.1002
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.045	0.045
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.045	0.3432
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.045	0.579
Onchocerca volvulus		0.0006	0	0.5
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.045	0.045
Brugia malayi	hypothetical protein	0.0025	0.0646	0.2557
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0646	0.8412
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0021	0.0514	0.3928
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0021	0.051	0.661
Leishmania major	DNA polymerase eta, putative	0.0045	0.1294	1
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0016	0.0349	0.4483
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.001	0.014	0.014
Schistosoma mansoni	blooms syndrome DNA helicase	0.0019	0.0439	0.0439
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.045	0.3432
Echinococcus granulosus	geminin	0.0171	0.542	0.542
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.1908	0.1908
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.1002	0.1002
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0032	0.0853	1
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.045	0.5
Onchocerca volvulus		0.0006	0	0.5
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.1908	0.1908
Brugia malayi	hypothetical protein	0.0036	0.1002	0.3969
Leishmania major	DNA polymerase kappa, putative	0.0019	0.045	0.3432
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0021	0.0514	0.0514
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.045	0.3432
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.045	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0646	0.0646
Trichomonas vaginalis	DNA helicase recq1, putative	0.0024	0.0606	1
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.001	0.014	0.014
Onchocerca volvulus		0.0006	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0006	0.001	0.001
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0024	0.0586	0.4484
Brugia malayi	hypothetical protein	0.0016	0.035	0.1387
Echinococcus multilocularis	snurportin 1	0.031	1	1
Onchocerca volvulus		0.0006	0	0.5
Leishmania major	DNA polymerase eta, putative	0.0032	0.0853	0.6568
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0006	0	0.5
Onchocerca volvulus		0.0006	0	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.1908	0.1908
Onchocerca volvulus		0.0006	0	0.5
Onchocerca volvulus		0.0006	0	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.1908	0.1908
Plasmodium vivax	importin-beta 2, putative	0.0029	0.0766	1
Schistosoma mansoni	hypothetical protein	0.0171	0.542	0.542
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0021	0.0514	0.2035
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.045	1
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0021	0.0514	0.0514
Entamoeba histolytica	Ran family GTPase	0.0021	0.0514	0.3627
Echinococcus granulosus	bloom syndrome protein	0.0024	0.0606	0.0606
Plasmodium falciparum	importin beta, putative	0.0029	0.0766	1
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.045	0.045
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0766	0.0766
Trichomonas vaginalis	importin beta-1, putative	0.0024	0.0586	0.9442
Loa Loa (eye worm)	hypothetical protein	0.001	0.014	0.014
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.045	0.579
Loa Loa (eye worm)	hypothetical protein	0.0122	0.3811	0.3811
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.001	0.014	0.0553
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.014	0.1539
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.045	0.045
Loa Loa (eye worm)	hypothetical protein	0.0045	0.1294	0.1294
Brugia malayi	Importin beta-1 subunit	0.0029	0.0766	0.3033
Onchocerca volvulus		0.0006	0	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.045	0.3432
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0024	0.0586	0.9442
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0021	0.0514	0.598
Schistosoma mansoni	DNA polymerase IV / kappa	0.0006	0.001	0.001
Onchocerca volvulus		0.0006	0	0.5
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0019	0.045	0.3432
Giardia lamblia	DINP protein human, muc B family	0.0019	0.045	0.8738
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.001	0.014	0.1716
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0252	0.1887
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0514	0.3928
Trypanosoma brucei	unspecified product	0.0019	0.045	0.3432
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.014	0.1539
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0514	0.3928
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.045	0.045
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0646	0.8412
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0646	0.4955
Onchocerca volvulus		0.0006	0	0.5
Trypanosoma cruzi	DNA polymerase eta, putative	0.0032	0.0853	0.6568
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0011	0.0186	0.0186
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.045	0.045
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0021	0.0514	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.045	0.3432
Entamoeba histolytica	hypothetical protein	0.0036	0.1002	1
Schistosoma mansoni	hypothetical protein	0.031	1	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0646	0.4955
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0766	0.5891
Schistosoma mansoni	ran	0.0021	0.0514	0.0514
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.001	0.014	0.014
Onchocerca volvulus		0.0006	0	0.5
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0646	0.8412
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.1908	0.1908
Echinococcus multilocularis	geminin	0.0171	0.542	0.542
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0006	0	0.5
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.1908	0.1908
Schistosoma mansoni	ran	0.0021	0.0514	0.0514
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0021	0.0514	0.6668
Echinococcus multilocularis	importin subunit beta 1	0.0029	0.0766	0.0766
Trichomonas vaginalis	DNA helicase recq, putative	0.0024	0.0606	1
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.001	0.014	0.014
Schistosoma mansoni	hypothetical protein	0.0011	0.0186	0.0186
Echinococcus granulosus	tar DNA binding protein	0.0064	0.1908	0.1908
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.045	1
Trypanosoma brucei	unspecified product	0.0013	0.0252	0.1887
Schistosoma mansoni	DNA helicase recq1	0.001	0.014	0.014
Toxoplasma gondii	HEAT repeat-containing protein	0.0029	0.0766	0.8968
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0766	0.5891
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.045	0.3432
Onchocerca volvulus		0.0006	0	0.5
Brugia malayi	ImpB/MucB/SamB family protein	0.0045	0.1294	0.5122
Trypanosoma cruzi	DNA polymerase eta, putative	0.0045	0.1294	1
Entamoeba histolytica	hypothetical protein	0.0036	0.1002	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0646	0.4955
Leishmania major	importin beta-1 subunit, putative	0.0024	0.0586	0.4484
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0024	0.0586	0.9442
Brugia malayi	RNA, U transporter 1	0.0083	0.2526	1
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.1908	0.1908
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0019	0.045	0.2796
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0021	0.0514	0.6668
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.045	0.3432
Loa Loa (eye worm)	RNA binding protein	0.0064	0.1908	0.1908
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0236	0.1762
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.001	0.014	0.0553

Activities

Activity type	Activity value	Assay description	Source	Reference
Kd (binding)	= 635 nM	Displacement of [3H]-QNB from rat brain stem muscarinic receptor 2 (M2)	ChEMBL.	No reference
Kd (binding)	= 635 nM	Displacement of [3H]-QNB from rat brain stem muscarinic receptor 2 (M2)	ChEMBL.	No reference
Kd (binding)	= 679 nM	Displacement of [3H]-QNB from muscarinic receptor 1 expressed in CHO-K1 cells	ChEMBL.	No reference
Kd (binding)	= 679 nM	Displacement of [3H]-QNB from muscarinic receptor 1 expressed in CHO-K1 cells	ChEMBL.	No reference

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

ChEMBL: CHEMBL22962

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 27456