TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 339.433 | Formula: C23H21N3
H donors: 2 H acceptors: 1 LogP: 5.71 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: c1ccc(cc1)c1ccc2c(c1)C(CCC2)Nc1nc2c([nH]1)cccc2
InChi: 1S/C23H21N3/c1-2-7-16(8-3-1)18-14-13-17-9-6-12-20(19(17)15-18)24-23-25-21-10-4-5-11-22(21)26-23/h1-5,7-8,10-11,13-15,20H,6,9,12H2,(H2,24,25,26)
InChiKey: MJSHLQQAWDKNCC-UHFFFAOYSA-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
Rattus norvegicus	Small conductance calcium-activated potassium channel protein 3	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	calcium-activated potassium channel	Get druggable targets OG5_130097	All targets in OG5_130097
Echinococcus multilocularis	small conductance calcium activated potassium	Get druggable targets OG5_130097	All targets in OG5_130097
Schistosoma japonicum	ko:K01047 phospholipase A2 [EC3.1.1.4], putative	Get druggable targets OG5_130097	All targets in OG5_130097
Schistosoma japonicum	ko:K04942 potassium intermediate/small conductance calcium-activated channel,, putative	Get druggable targets OG5_130097	All targets in OG5_130097
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_130097	All targets in OG5_130097
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_130097	All targets in OG5_130097
Schistosoma japonicum	expressed protein	Get druggable targets OG5_130097	All targets in OG5_130097
Echinococcus granulosus	small conductance calcium activated potassium	Get druggable targets OG5_130097	All targets in OG5_130097
Schistosoma japonicum	Small conductance calcium-activated potassium channel protein, putative	Get druggable targets OG5_130097	All targets in OG5_130097
Schistosoma japonicum	Small conductance calcium-activated potassium channel protein, putative	Get druggable targets OG5_130097	All targets in OG5_130097
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_130097	All targets in OG5_130097
Schistosoma japonicum	IPR011996,SK channel region,domain-containing	Get druggable targets OG5_130097	All targets in OG5_130097

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	lamin	0.0026	0.0557	0.0557
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0038	0.0916	1
Loa Loa (eye worm)	hypothetical protein	0.0097	0.2681	0.4416
Brugia malayi	MH2 domain containing protein	0.0008	0.0011	0.0017
Schistosoma mansoni	rotamase	0.0035	0.0823	0.0823
Trichomonas vaginalis	ap endonuclease, putative	0.0038	0.0916	1
Echinococcus granulosus	Smad4	0.0008	0.0011	0.0011
Plasmodium vivax	ataxin-2 like protein, putative	0.0024	0.0506	0.5498
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0506	0.0826
Loa Loa (eye worm)	hypothetical protein	0.0068	0.1798	0.2959
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0557	0.1707
Echinococcus granulosus	neutral sphingomyelinase	0.0008	0.0006	0.0006
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0008	0.0006	0.0006
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.0695	0.0695
Schistosoma mansoni	ocrl type II inositol 5-phosphatase	0.0008	0.0006	0.0006
Trichomonas vaginalis	rotamase, putative	0.0035	0.0823	0.8976
Brugia malayi	hypothetical protein	0.0024	0.0506	0.1549
Toxoplasma gondii	PPIC-type PPIASE domain-containing protein	0.0011	0.0094	0.0596
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0543	0.0887
Leishmania major	peptidyl-prolyl cis-trans isomerase, putative	0.0011	0.0094	0.0969
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0013	0.0153	0.0153
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0038	0.0916	1
Schistosoma mansoni	hypothetical protein	0.0342	1	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0695	0.1137
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0011	0.0103	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1694	0.2788
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0038	0.0916	0.1503
Echinococcus granulosus	GPCR family 2	0.0031	0.0695	0.0695
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.0695	0.0695
Brugia malayi	intermediate filament protein	0.0026	0.0557	0.1707
Trypanosoma cruzi	PAB1-binding protein , putative	0.0024	0.0506	0.5498
Echinococcus multilocularis	cpg binding protein	0.0032	0.073	0.073
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.0695	0.0695
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.0695	0.0695
Schistosoma mansoni	ap endonuclease	0.0038	0.0916	0.0916
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.3236	0.5334
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0038	0.0916	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0139	0.0219
Schistosoma mansoni	synaptojanin	0.0008	0.0006	0.0006
Schistosoma mansoni	hypothetical protein	0.0031	0.0695	0.0695
Loa Loa (eye worm)	Smad1	0.0008	0.0011	0.0009
Brugia malayi	MH1 domain containing protein	0.0008	0.0011	0.0017
Schistosoma mansoni	carbon catabolite repressor protein	0.0008	0.0006	0.0006
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0097	0.2681	0.4416
Brugia malayi	cytoplasmic intermediate filament protein	0.0014	0.0194	0.0584
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0038	0.0916	1
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0014	0.0194	0.0311
Onchocerca volvulus		0.0026	0.0557	0.8199
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.0695	0.1137
Schistosoma mansoni	hypothetical protein	0.021	0.6062	0.6062
Schistosoma mansoni	hypothetical protein	0.0031	0.0695	0.0695
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0038	0.0916	0.0916
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.1115	0.3434
Brugia malayi	MH2 domain containing protein	0.0116	0.3236	1
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0008	0.0011	0.0011
Echinococcus granulosus	expressed protein	0.0035	0.0823	0.0823
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0038	0.0916	1
Trichomonas vaginalis	rotamase, putative	0.0034	0.0798	0.8705
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0557	0.0911
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	0.0034	0.0798	0.8705
Schistosoma mansoni	smad	0.0008	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0139	0.0219
Onchocerca volvulus		0.003	0.0679	1
Echinococcus multilocularis	smad	0.0008	0.0011	0.0011
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.0506	0.5498
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0557	0.0911
Toxoplasma gondii	peptidylprolyl isomerase	0.0034	0.0798	0.5352
Loa Loa (eye worm)	MH1 domain-containing protein	0.0008	0.0011	0.0009
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0011	0.0011
Brugia malayi	Smad1	0.0008	0.0011	0.0017
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1115	0.1115
Echinococcus multilocularis	musashi	0.0026	0.0557	0.0557
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0557	0.0557
Schistosoma mansoni	hypothetical protein	0.0011	0.0103	0.0103
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0008	0.0011	0.0011
Loa Loa (eye worm)	CXXC zinc finger family protein	0.003	0.0679	0.1111
Echinococcus multilocularis	GPCR, family 2	0.0031	0.0695	0.0695
Echinococcus multilocularis	small conductance calcium activated potassium	0.021	0.6062	0.6062
Brugia malayi	hypothetical protein	0.0016	0.0247	0.0747
Schistosoma mansoni	nocturnin	0.0008	0.0006	0.0006
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.1115	0.1832
Echinococcus granulosus	lamin dm0	0.0026	0.0557	0.0557
Echinococcus granulosus	synaptojanin 1	0.0008	0.0006	0.0006
Echinococcus granulosus	CCR4 NOT transcription complex subunit 6	0.0008	0.0006	0.0006
Echinococcus multilocularis	expressed protein	0.0035	0.0823	0.0823
Echinococcus multilocularis	deoxyribonuclease 1 2	0.0008	0.0006	0.0006
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0097	0.2681	0.828
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1115	0.1115
Schistosoma mansoni	hypothetical protein	0.0342	1	1
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0038	0.0916	1
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0038	0.0916	1
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0034	0.0798	0.8705
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.0506	0.5498
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0064	0.1691	0.1691
Leishmania major	hypothetical protein, conserved	0.0024	0.0506	0.5498
Brugia malayi	MH1 domain containing protein	0.0008	0.0011	0.0017
Schistosoma mansoni	Smad4	0.0008	0.0011	0.0011
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1115	0.1115
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0557	0.0911
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0823	0.8976
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0011	0.0094	0.0969
Schistosoma mansoni	hypothetical protein	0.0066	0.1762	0.1762
Schistosoma mansoni	lamin	0.0026	0.0557	0.0557
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1115	0.1115
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0038	0.0916	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0055	0.0055
Trichomonas vaginalis	ap endonuclease, putative	0.0038	0.0916	1
Echinococcus granulosus	small conductance calcium activated potassium	0.021	0.6062	0.6062
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0008	0.0011	0.0011
Echinococcus granulosus	traf and tnf receptor associated protein	0.0008	0.0006	0.0006
Schistosoma mansoni	cpg binding protein	0.003	0.0679	0.0679
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0038	0.0916	1
Schistosoma mansoni	calcium-activated potassium channel	0.021	0.6062	0.6062
Loa Loa (eye worm)	hypothetical protein	0.021	0.6062	1
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0038	0.0916	1
Echinococcus granulosus	mothers against decapentaplegic 5	0.0008	0.0011	0.0011
Echinococcus multilocularis	geminin	0.0342	1	1
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0011	0.0094	0.0969
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0031	0.0695	0.2133
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0013	0.0153	0.0153
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.3236	0.5334
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0011	0.0103	0.0103
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0051	0.0141
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	0.0035	0.0823	0.2529
Echinococcus multilocularis	Smad4	0.0008	0.0011	0.0011
Trypanosoma cruzi	PAB1-binding protein , putative	0.0024	0.0506	0.5498
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0055	0.0055
Schistosoma mansoni	neutral sphingomyelinase	0.0008	0.0006	0.0006
Schistosoma mansoni	ap endonuclease	0.0038	0.0916	0.0916
Toxoplasma gondii	LsmAD domain-containing protein	0.0024	0.0506	0.3381
Echinococcus multilocularis	lamin dm0	0.0026	0.0557	0.0557
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0057	0.1486	1
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase, putative	0.0011	0.0094	0.0969
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.0695	0.2133
Schistosoma mansoni	hypothetical protein	0.0008	0.0006	0.0006
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0038	0.0916	1
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0011	0.0011
Echinococcus multilocularis	lamin	0.0026	0.0557	0.0557
Echinococcus multilocularis	CCR4 NOT transcription complex subunit 6	0.0008	0.0006	0.0006
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1115	0.1115
Echinococcus multilocularis	synaptojanin 1	0.0008	0.0006	0.0006
Onchocerca volvulus		0.0026	0.0557	0.8199
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0038	0.0916	0.0916
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1914	0.315
Schistosoma mansoni	calcium-activated potassium channel	0.0136	0.3832	0.3832
Schistosoma mansoni	hypothetical protein	0.0031	0.0695	0.0695
Loa Loa (eye worm)	Pin1-type peptidyl-prolyl cis-trans isomerase	0.0035	0.0823	0.1349
Brugia malayi	latrophilin 2 splice variant baaae	0.0066	0.1762	0.5435
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0008	0.0006	0.0006
Echinococcus granulosus	lamin	0.0026	0.0557	0.0557
Brugia malayi	exodeoxyribonuclease III family protein	0.0038	0.0916	0.2818
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0055	0.0081
Brugia malayi	CXXC zinc finger family protein	0.003	0.0679	0.2082
Echinococcus granulosus	smad	0.0008	0.0011	0.0011
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	0.0034	0.0798	0.8705
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0153	0.0243
Echinococcus multilocularis	inositol polyphosphate 5 phosphatase OCRL 1	0.0008	0.0006	0.0006
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0038	0.0916	0.5
Trypanosoma brucei	PAB1-binding protein , putative	0.0024	0.0506	0.5498
Loa Loa (eye worm)	MH2 domain-containing protein	0.0008	0.0011	0.0009
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0097	0.2681	0.828
Echinococcus granulosus	inositol polyphosphate 5 phosphatase OCRL 1	0.0008	0.0006	0.0006
Schistosoma mansoni	synaptojanin	0.0008	0.0006	0.0006
Schistosoma mansoni	hypothetical protein	0.0031	0.0695	0.0695
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0011	0.0011
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0034	0.0798	0.8705
Echinococcus granulosus	intermediate filament protein	0.0026	0.0557	0.0557
Brugia malayi	MH2 domain containing protein	0.0008	0.0011	0.0017
Loa Loa (eye worm)	hypothetical protein	0.0066	0.1762	0.2899
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, putative	0.0034	0.0798	0.8705
Schistosoma mansoni	cript-related	0.0008	0.0006	0.0006
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0008	0.0011	0.0011
Echinococcus multilocularis	traf and tnf receptor associated protein	0.0008	0.0006	0.0006
Echinococcus granulosus	cpg binding protein	0.0032	0.073	0.073
Toxoplasma gondii	exonuclease III APE	0.0038	0.0916	0.6149
Schistosoma mansoni	cpg binding protein	0.0032	0.073	0.073
Echinococcus multilocularis	neutral sphingomyelinase	0.0008	0.0006	0.0006
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1115	0.1115
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1115	0.1115
Schistosoma mansoni	cpg binding protein	0.0032	0.073	0.073

Activities

Activity type	Activity value	Assay description	Source	Reference
Kd (binding)	= 0.6 uM	Inhibition of Wistar rat recombinant SK3 channel expressed in HEK293 cells by whole cell patch clamp technique	ChEMBL.	18998663

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: CHEMBL519876

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 1019201