TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 378.446 | Formula: C21H23FN6
H donors: 0 H acceptors: 3 LogP: 2.78 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc2c(c1)CCN2C1CCN(CC1)c1ccc(nn1)c1cnn(c1)C
InChi: 1S/C21H23FN6/c1-26-14-16(13-23-26)19-3-5-21(25-24-19)27-9-7-18(8-10-27)28-11-6-15-12-17(22)2-4-20(15)28/h2-5,12-14,18H,6-11H2,1H3
InChiKey: IQQQMAUGJKASHW-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
Homo sapiens	stearoyl-CoA desaturase (delta-9-desaturase)	Starlite/ChEMBL	References
Rattus norvegicus	Acyl-CoA desaturase 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania braziliensis	fatty-acid desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Leishmania donovani	fatty-acid desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Candida albicans	one of two potential fatty acid desaturase genes similar to S. cerevisiae OLE1 (YGL055W) delta-9-fatty acid desaturase	Get druggable targets OG5_126939	All targets in OG5_126939
Plasmodium knowlesi	stearoyl-CoA desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Leishmania infantum	stearic acid desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Onchocerca volvulus		Get druggable targets OG5_126939	All targets in OG5_126939
Plasmodium berghei	stearoyl-CoA desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Leishmania infantum	fatty-acid desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Neospora caninum	fatty acyl-CoA desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Trypanosoma cruzi	fatty acid desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Leishmania major	stearic acid desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Leishmania mexicana	stearic acid desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Plasmodium falciparum	stearoyl-CoA desaturase	Get druggable targets OG5_126939	All targets in OG5_126939
Trypanosoma cruzi	fatty acid desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Loa Loa (eye worm)	acyl-CoA desaturase	Get druggable targets OG5_126939	All targets in OG5_126939
Leishmania major	fatty-acid desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Trypanosoma brucei	fatty acid desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Leishmania donovani	stearic acid desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Trypanosoma congolense	fatty acid desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Leishmania braziliensis	stearic acid desaturase	Get druggable targets OG5_126939	All targets in OG5_126939
Onchocerca volvulus		Get druggable targets OG5_126939	All targets in OG5_126939
Plasmodium yoelii	delta-9 fatty acid desaturase	Get druggable targets OG5_126939	All targets in OG5_126939
Plasmodium vivax	stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative	Get druggable targets OG5_126939	All targets in OG5_126939
Trypanosoma cruzi	fatty acid desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Trypanosoma brucei gambiense	fatty acid desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Candida albicans	one of two potential fatty acid desaturase genes similar to S. cerevisiae OLE1 (YGL055W) delta-9-fatty acid desaturase	Get druggable targets OG5_126939	All targets in OG5_126939
Leishmania mexicana	fatty-acid desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Brugia malayi	acyl-CoA desaturase	Get druggable targets OG5_126939	All targets in OG5_126939

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Candida albicans	one of two potential fatty acid desaturase genes similar to S. cerevisiae OLE1 (YGL055W) delta-9 fatty acid desaturase	Acyl-CoA desaturase 1	358 aa	317 aa	27.1 %
Candida albicans	one of two potential fatty acid desaturase genes similar to S. cerevisiae OLE1 (YGL055W) delta-9 fatty acid desaturase	Acyl-CoA desaturase 1	358 aa	317 aa	27.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Intermediate filament tail domain containing protein	0.0024	0.0564	0.1004
Loa Loa (eye worm)	hypothetical protein	0.0012	0.022	0.0381
Brugia malayi	Protein kinase domain containing protein	0.0159	0.4268	0.7705
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0006	0.0074	0.0056
Schistosoma mansoni	camp-dependent protein kinase type I-beta regulatory subunit	0.0004	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0079	0.0125
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0033	0.0809	0.1447
Brugia malayi	Hypothetical UPF0028 protein ZK370.4 in chromosome III, putative	0.0004	0.0019	0.0017
Brugia malayi	CXXC zinc finger family protein	0.0026	0.0608	0.1082
Toxoplasma gondii	exonuclease III APE	0.0017	0.0363	0.1942
Schistosoma mansoni	voltage-gated potassium channel	0.0036	0.0893	0.0893
Echinococcus granulosus	dual specificity serine:threonine tyrosine	0.0159	0.4268	0.4257
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0006	0.0074	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0552	0.0982
Mycobacterium leprae	PROBABLE ENDONUCLEASE IV END (ENDODEOXYRIBONUCLEASE IV) (APURINASE)	0.0069	0.1791	1
Trypanosoma cruzi	fatty acid desaturase, putative	0.0223	0.6033	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0059	0.0095
Trichomonas vaginalis	ap endonuclease, putative	0.0017	0.0363	0.081
Plasmodium falciparum	cGMP-dependent protein kinase	0.0005	0.0047	0.0051
Schistosoma mansoni	fatty acid desaturase	0.0018	0.0395	0.0395
Onchocerca volvulus		0.0026	0.0608	0.0979
Echinococcus multilocularis	lamin	0.0024	0.0564	0.0547
Echinococcus granulosus	intermediate filament protein	0.0024	0.0564	0.0547
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0059	0.0095
Schistosoma mansoni	serine/threonine protein kinase	0.0005	0.0047	0.0047
Brugia malayi	Fatty acid desaturase family protein	0.0018	0.0395	0.0697
Trypanosoma brucei	cyclic nucleotide-binding domain containing protein, putative	0.0004	0.0019	0.0014
Plasmodium falciparum	apurinic/apyrimidinic endonuclease Apn1, putative	0.0069	0.1791	0.3213
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0059	0.0095
Brugia malayi	MH2 domain containing protein	0.0107	0.2847	0.5134
Loa Loa (eye worm)	Smad1	0.0007	0.0099	0.0162
Echinococcus granulosus	smad	0.0007	0.0099	0.0081
Brugia malayi	Fatty acid desaturase family protein	0.0018	0.0395	0.0697
Mycobacterium ulcerans	sugar phosphate isomerases/epimerases	0.0018	0.0396	0.213
Trypanosoma brucei	fatty acid desaturase, putative	0.0223	0.6033	1
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0033	0.0809	0.0792
Mycobacterium ulcerans	endonuclease IV	0.0069	0.1791	1
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0006	0.0074	0.0056
Plasmodium vivax	apurinic/apyrimidinic endonuclease Apn1, putative	0.0069	0.1791	0.3213
Echinococcus multilocularis	voltage gated potassium channel	0.001	0.0162	0.0144
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0033	0.0809	0.1447
Echinococcus multilocularis	geminin	0.0152	0.4083	0.4072
Toxoplasma gondii	endonuclease IV APN	0.0069	0.1791	1
Leishmania major	stearic acid desaturase, putative	0.0223	0.6033	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0024	0.0564	0.1004
Onchocerca volvulus		0.0223	0.6033	1
Schistosoma mansoni	similar to Protein C20orf152 homolog	0.0004	0.0019	0.0019
Echinococcus multilocularis	dnaJ subfamily B	0.0367	1	1
Schistosoma mansoni	60S ribosomal protein L21	0.0005	0.0042	0.0042
Leishmania major	fatty-acid desaturase, putative	0.0223	0.6033	1
Schistosoma mansoni	camp-dependent protein kinase type I-beta regulatory subunit	0.0004	0.0019	0.0019
Brugia malayi	MH2 domain containing protein	0.0007	0.0099	0.0162
Plasmodium falciparum	stearoyl-CoA desaturase	0.0205	0.5536	1
Brugia malayi	Hypothetical 29.7 kDa protein C05D11.5 in chromosome III	0.0018	0.0396	0.07
Loa Loa (eye worm)	AGC/PKG protein kinase	0.0005	0.0047	0.0067
Brugia malayi	Egg laying defective protein 4	0.0005	0.0047	0.0067
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0017	0.0363	0.081
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0118	0.0099
Schistosoma mansoni	dual specificity serine/threonine tyrosine kinase	0.0159	0.4268	0.4268
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0059	0.0095
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0007	0.0099	0.0081
Trypanosoma brucei	cyclic nucleotide-binding domain containing protein, putative	0.0004	0.0019	0.0014
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0007	0.0079	0.0079
Echinococcus multilocularis	expressed conserved protein	0.0005	0.0047	0.0028
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0004	0.0019	0.0019
Brugia malayi	cAMP-dependent protein kinase regulatory chain, putative	0.0004	0.0019	0.0017
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0006	0.0074	0.0074
Mycobacterium ulcerans	hypothetical protein	0.0018	0.0396	0.213
Echinococcus multilocularis	Peptidase M, neutral zinc metallopeptidases, zinc binding site	0.0018	0.0395	0.0377
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0007	0.0079	0.006
Schistosoma mansoni	voltage-gated potassium channel	0.001	0.0162	0.0162
Echinococcus multilocularis	Fatty acid desaturase, type 1	0.0018	0.0395	0.0377
Mycobacterium ulcerans	linoleoyl-CoA desaturase, DesA3	0.0018	0.0395	0.2122
Brugia malayi	N-terminal motif family protein	0.0004	0.0019	0.0017
Loa Loa (eye worm)	MH2 domain-containing protein	0.0107	0.2847	0.5134
Loa Loa (eye worm)	hypothetical protein	0.0004	0.0019	0.0017
Leishmania major	protein kinase, putative	0.0005	0.0047	0.0046
Loa Loa (eye worm)	histone methyltransferase	0.0008	0.0118	0.0196
Echinococcus granulosus	hyperpolarization activated cyclic	0.0007	0.0079	0.006
Onchocerca volvulus	Putative hydroxypyruvate isomerase	0.0018	0.0396	0.0628
Trypanosoma cruzi	fatty acid desaturase, putative	0.0018	0.0395	0.0626
Schistosoma mansoni	ap endonuclease	0.0017	0.0363	0.0363
Brugia malayi	cytoplasmic intermediate filament protein	0.0013	0.0255	0.0445
Trypanosoma brucei	delta-4 fatty acid desaturase	0.0018	0.0395	0.0639
Schistosoma mansoni	hypothetical protein	0.0152	0.4083	0.4083
Mycobacterium ulcerans	hypothetical protein	0.0018	0.0395	0.2122
Schistosoma mansoni	smad1 5 8 and	0.0007	0.0099	0.0099
Echinococcus granulosus	cpg binding protein	0.0027	0.0648	0.0631
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0396	0.07
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0059	0.0095
Leishmania major	fatty acid desaturase, putative	0.0018	0.0395	0.0626
Echinococcus granulosus	cyclic nucleotide gated cation channel alpha 3	0.0007	0.0079	0.006
Mycobacterium leprae	conserved hypothetical protein	0.0018	0.0396	0.213
Mycobacterium ulcerans	linoleoyl-CoA desaturase, DesA3	0.0018	0.0395	0.2122
Echinococcus granulosus	Fatty acid desaturase type 1	0.0018	0.0395	0.0377
Toxoplasma gondii	protein kinase G AGC kinase family member PKG	0.0005	0.0047	0.0158
Loa Loa (eye worm)	fatty acid desaturase	0.0018	0.0395	0.0697
Brugia malayi	MH1 domain containing protein	0.0007	0.0099	0.0162
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0017	0.0363	0.0345
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0007	0.0099	0.0081
Schistosoma mansoni	camp-dependent protein kinase regulatory chain	0.0004	0.0019	0.0019
Echinococcus multilocularis	cGMP dependent protein kinase 1	0.0005	0.0047	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0564	0.1004
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0017	0.0363	0.0586
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0395	0.0697
Mycobacterium tuberculosis	Probable endonuclease IV End (endodeoxyribonuclease IV) (apurinase)	0.0069	0.1791	1
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0017	0.0363	0.0572
Schistosoma mansoni	lamin	0.0024	0.0564	0.0564
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0007	0.0079	0.0079
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0017	0.0363	0.0345
Schistosoma mansoni	voltage-gated potassium channel	0.0005	0.0042	0.0042
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0017	0.0363	0.5
Giardia lamblia	Kinase, TTK	0.0159	0.4268	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0017	0.0363	1
Echinococcus granulosus	Smad4	0.0007	0.0099	0.0081
Onchocerca volvulus		0.0223	0.6033	1
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0007	0.0079	0.0079
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0007	0.0079	0.0079
Trichomonas vaginalis	CAMK family protein kinase	0.0159	0.4268	1
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0059	0.0095
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0007	0.0079	0.006
Echinococcus multilocularis	cpg binding protein	0.0027	0.0648	0.0631
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0059	0.0095
Trypanosoma brucei	cytochrome b5-dependent oleate desaturase	0.0018	0.0395	0.0639
Trichomonas vaginalis	ap endonuclease, putative	0.0017	0.0363	0.081
Trypanosoma brucei	Flagellar Member 6	0.0004	0.0019	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1791	0.3224
Leishmania major	protein kinase, putative	0.0005	0.0047	0.0046
Echinococcus granulosus	cGMP dependent protein kinase 1	0.0005	0.0047	0.0028
Schistosoma mansoni	cpg binding protein	0.0027	0.0648	0.0648
Schistosoma mansoni	intermediate filament proteins	0.0024	0.0564	0.0564
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0055	0.1403	0.1403
Trypanosoma brucei	cAMP binding protein, putative	0.0004	0.0019	0.0014
Schistosoma mansoni	ap endonuclease	0.0017	0.0363	0.0363
Mycobacterium ulcerans	hypothetical protein	0.0018	0.0395	0.2122
Echinococcus granulosus	Sphingolipid delta4 desaturase DES1	0.0018	0.0395	0.0377
Leishmania major	delta-4 fatty acid desaturase	0.0018	0.0395	0.0626
Schistosoma mansoni	camp-dependent protein kinase type II regulatory subunit	0.0004	0.0019	0.0019
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0059	0.0095
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0033	0.0809	0.0792
Loa Loa (eye worm)	TTK protein kinase	0.0159	0.4268	0.7705
Onchocerca volvulus		0.0024	0.0564	0.0907
Schistosoma mansoni	hypothetical protein	0.0367	1	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0208	0.0358
Schistosoma mansoni	camp-dependent protein kinase type II-alpha regulatory subunit	0.0004	0.0019	0.0019
Trichomonas vaginalis	CAMK family protein kinase	0.0159	0.4268	1
Loa Loa (eye worm)	cAMP-dependent protein kinase regulatory subunit	0.0004	0.0019	0.0017
Trichomonas vaginalis	helicase, putative	0.0006	0.0059	0.0095
Leishmania major	delta-6 fatty acid desaturase	0.0018	0.0395	0.0626
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0017	0.0363	0.1942
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0007	0.0099	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0208	0.0358
Echinococcus multilocularis	lamin dm0	0.0024	0.0564	0.0547
Schistosoma mansoni	smad1 5 8 and	0.0007	0.0099	0.0099
Loa Loa (eye worm)	hypothetical protein	0.001	0.0162	0.0277
Leishmania major	fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative	0.0018	0.0395	0.0626
Echinococcus multilocularis	cGMP dependent protein kinase 1	0.0005	0.0047	0.0028
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0059	0.0095
Mycobacterium ulcerans	linoleoyl-CoA desaturase, DesA3_2	0.0018	0.0395	0.2122
Onchocerca volvulus		0.0024	0.0564	0.0907
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0017	0.0363	0.0572
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0059	0.0095
Schistosoma mansoni	voltage-gated potassium channel	0.0007	0.0079	0.0079
Mycobacterium tuberculosis	Probable transmembrane alkane 1-monooxygenase AlkB (alkane 1-hydroxylase) (lauric acid omega-hydroxylase) (omega-hydroxylase) (f	0.0018	0.0395	0.2122
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0059	0.0095
Trypanosoma cruzi	fatty acid desaturase, putative	0.0018	0.0395	0.0626
Loa Loa (eye worm)	FAT-3 protein	0.0018	0.0395	0.0697
Onchocerca volvulus		0.0018	0.0395	0.0626
Schistosoma mansoni	voltage-gated potassium channel	0.0036	0.0893	0.0893
Echinococcus granulosus	potassium:sodium hyperpolarization activated	0.0007	0.0079	0.006
Loa Loa (eye worm)	intermediate filament protein	0.0024	0.0564	0.1004
Echinococcus granulosus	lamin dm0	0.0024	0.0564	0.0547
Echinococcus multilocularis	Peptidase M, neutral zinc metallopeptidases, zinc binding site	0.0018	0.0395	0.0377
Schistosoma mansoni	smad	0.0007	0.0099	0.0099
Mycobacterium ulcerans	electron transfer protein FdxB	0.0018	0.0395	0.2122
Echinococcus multilocularis	Smad4	0.0007	0.0099	0.0081
Schistosoma mansoni	lamin	0.0024	0.0564	0.0564
Loa Loa (eye worm)	hypothetical protein	0.0004	0.0019	0.0017
Mycobacterium ulcerans	epimerase	0.0018	0.0396	0.213
Schistosoma mansoni	Smad4	0.0007	0.0099	0.0099
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0118	0.0099
Trypanosoma brucei	delta-6 fatty acid desaturase, putative	0.0018	0.0395	0.0639
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0012	0.022	0.0201
Trypanosoma brucei	sphingolipid delta 4 desaturase, putative	0.0018	0.0395	0.0639
Schistosoma mansoni	neuropathy target esterase/swiss cheese-related protein	0.0004	0.0019	0.0019
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0059	0.0095
Schistosoma mansoni	cyclic nucleotide-gated ion channel	0.0004	0.0019	0.0019
Echinococcus granulosus	mothers against decapentaplegic 5	0.0007	0.0099	0.0081
Echinococcus granulosus	geminin	0.0152	0.4083	0.4072
Echinococcus granulosus	voltage gated potassium channel	0.001	0.0162	0.0144
Schistosoma mansoni	voltage-gated potassium channel	0.001	0.0162	0.0162
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0059	0.0095
Schistosoma mansoni	cpg binding protein	0.0027	0.0648	0.0648
Trypanosoma cruzi	delta-4 fatty acid desaturase, putative	0.0018	0.0395	0.0626
Brugia malayi	Cyclic-nucleotide gated cation channel, C. elegans tax-4 ortholog	0.0004	0.0019	0.0017
Echinococcus granulosus	hyperpolarization activated cyclic	0.0007	0.0079	0.006
Schistosoma mansoni	smad1 5 8 and	0.0007	0.0099	0.0099
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0007	0.0079	0.0141
Onchocerca volvulus	Dual specificity protein kinase TTK homolog	0.0159	0.4268	0.7065
Schistosoma mansoni	hypothetical protein	0.0004	0.0019	0.0019
Brugia malayi	exodeoxyribonuclease III family protein	0.0017	0.0363	0.0639
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0031	0.0749	0.172
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.0059	0.0095
Trypanosoma cruzi	fatty acid desaturase, putative	0.0205	0.5536	0.9174
Brugia malayi	Smad1	0.0007	0.0099	0.0162
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0017	0.0363	0.0639
Echinococcus multilocularis	dual specificity serine:threonine tyrosine	0.0159	0.4268	0.4257
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0007	0.0079	0.0141
Trypanosoma cruzi	delta-4 fatty acid desaturase, putative	0.0018	0.0395	0.0626
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0012	0.022	0.0201
Schistosoma mansoni	serine/threonine protein kinase	0.0005	0.0047	0.0047
Trypanosoma brucei	protein kinase A regulatory subunit	0.0004	0.0019	0.0014
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0017	0.0363	0.0624
Plasmodium vivax	stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative	0.0205	0.5536	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0018	0.0396	0.213
Brugia malayi	DNA-(Apurinic or apyrimidinic site) lyase	0.0069	0.1791	0.3224
Leishmania major	fatty acid desaturase, putative	0.0018	0.0395	0.0626
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.001	0.0162	0.0277
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0017	0.0363	0.0572
Schistosoma mansoni	camp-dependent rap1 guanine-nucleotide exchange factor	0.0004	0.0019	0.0019
Leishmania major	fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative	0.0018	0.0395	0.0626
Echinococcus multilocularis	smad	0.0007	0.0099	0.0081
Toxoplasma gondii	sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein	0.0018	0.0395	0.2122
Brugia malayi	acyl-CoA desaturase	0.0205	0.5536	1
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0007	0.0079	0.0079
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0049	0.1242	0.6902
Brugia malayi	F/Y-rich N-terminus family protein	0.0008	0.0115	0.0191
Chlamydia trachomatis	endonuclease IV	0.0069	0.1791	1
Mycobacterium tuberculosis	Possible electron transfer protein FdxB	0.0018	0.0395	0.2122
Mycobacterium tuberculosis	Probable conserved membrane protein	0.0018	0.0395	0.2122
Schistosoma mansoni	hypothetical protein	0.0152	0.4083	0.4083
Trypanosoma cruzi	fatty acid desaturase, putative	0.0205	0.5536	0.9174
Leishmania major	fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative	0.0018	0.0395	0.0626
Loa Loa (eye worm)	acyl-CoA desaturase	0.0205	0.5536	1
Echinococcus multilocularis	potassium:sodium hyperpolarization activated	0.0007	0.0079	0.006
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0007	0.0079	0.006
Trypanosoma brucei	cAMP response protein 1, putative	0.0004	0.0019	0.0014
Echinococcus granulosus	lamin	0.0024	0.0564	0.0547
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0007	0.0099	0.0099
Leishmania major	delta-5 fatty acid desaturase	0.0018	0.0395	0.0626
Echinococcus granulosus	cGMP dependent protein kinase 1	0.0005	0.0047	0.0028
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0026	0.0608	0.1082
Echinococcus multilocularis	cyclic nucleotide gated cation channel alpha 3	0.0007	0.0079	0.006
Brugia malayi	MH2 domain containing protein	0.0007	0.0099	0.0162
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0007	0.0079	0.0125
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.001	0.0162	0.0144
Loa Loa (eye worm)	MH2 domain-containing protein	0.0007	0.0099	0.0162
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0004	0.0019	0.0019
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0017	0.0363	0.5
Trypanosoma cruzi	sphingolipid delta 4 desaturase, putative	0.0018	0.0395	0.0626
Echinococcus granulosus	cGMP dependent protein kinase	0.0005	0.0047	0.0028
Loa Loa (eye worm)	fatty acid desaturase	0.0018	0.0395	0.0697
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0059	0.0095
Schistosoma mansoni	cpg binding protein	0.0026	0.0608	0.0608
Echinococcus multilocularis	musashi	0.0024	0.0564	0.0547
Loa Loa (eye worm)	MH1 domain-containing protein	0.0007	0.0099	0.0162
Schistosoma mansoni	serine/threonine protein kinase	0.0005	0.0047	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0689	0.123
Leishmania major	delta-12 fatty acid desaturase	0.0018	0.0395	0.0626
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0007	0.0079	0.0125
Brugia malayi	MH1 domain containing protein	0.0007	0.0099	0.0162
Loa Loa (eye worm)	transcription factor SMAD2	0.0107	0.2847	0.5134
Trypanosoma cruzi	cytochrome b5-dependent oleate desaturase	0.0018	0.0395	0.0626
Schistosoma mansoni	neuropathy target esterase/swiss cheese-related protein	0.0004	0.0019	0.0019
Brugia malayi	Delta5 fatty acid desaturase	0.0018	0.0395	0.0697
Leishmania major	fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative	0.0018	0.0395	0.0626
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.0059	0.0095
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0017	0.0363	0.1942
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0059	0.0095
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0006	0.0074	0.0056
Mycobacterium ulcerans	transmembrane alkane 1-monooxygenase AlkB	0.0018	0.0395	0.2122
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0013	0.0255	0.0445
Brugia malayi	Cyclic-nucleotide gated cation channel	0.0007	0.0079	0.0125
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0007	0.0079	0.006
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0031	0.0749	0.172
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0007	0.0079	0.006
Brugia malayi	intermediate filament protein	0.0024	0.0564	0.1004
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0017	0.0363	0.0624
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.001	0.0162	0.0144

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 99 nM	Inhibition of SCD1 in human A431 cells assessed as [13C]-palmitic acid conversion to [13C]-palmitoleic acid after 4 hrs by LC/MS analysis	ChEMBL.	24405703
IC50 (binding)	= 165 nM	Inhibition of SCD1 in Sprague-Dawley rat liver microsomes using stearoyl-[9,10-3H]-CoA as substrate	ChEMBL.	24405703

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.

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External resources for this compound

ChEMBL: CHEMBL3127660

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1824463