TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 338.38 | Formula: C18H14N2O3S
H donors: 1 H acceptors: 3 LogP: 3.08 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CS(=O)(=O)c1ccc2c(c1)[nH]c(n2)c1ccc(cc1)c1cocc1
InChi: 1S/C18H14N2O3S/c1-24(21,22)15-6-7-16-17(10-15)20-18(19-16)13-4-2-12(3-5-13)14-8-9-23-11-14/h2-11H,1H3,(H,19,20)
InChiKey: NMXNGDRZMHTXDQ-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	Acyl-CoA desaturase 1	Starlite/ChEMBL	References
Homo sapiens	stearoyl-CoA desaturase (delta-9-desaturase)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Leishmania major	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
Trypanosoma brucei	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
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
Trypanosoma cruzi	fatty acid desaturase, putative	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 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
Leishmania braziliensis	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
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	fatty-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	stearic 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
Leishmania major	stearic 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
Leishmania mexicana	stearic acid desaturase, putative	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
Loa Loa (eye worm)	FAT-3 protein	0.0018	0.015	0.0219
Schistosoma mansoni	hypothetical protein	0.0049	0.0781	0.1143
Leishmania major	importin beta-1 subunit, putative	0.0026	0.0321	0.0413
Echinococcus multilocularis	Peptidase M, neutral zinc metallopeptidases, zinc binding site	0.0018	0.015	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0079	0.1384	0.2024
Trypanosoma cruzi	PAB1-binding protein , putative	0.0082	0.1445	0.3126
Echinococcus granulosus	Sphingolipid delta4 desaturase DES1	0.0018	0.015	0.0219
Brugia malayi	Fatty acid desaturase family protein	0.0018	0.015	0.0313
Leishmania major	GTP-binding protein, putative	0.0024	0.0271	0.0293
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0146	0.2737	0.4003
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0049	0.0781	0.1632
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0035	0.0503	0.0735
Toxoplasma gondii	ABC1 family protein	0.0079	0.1384	0.9531
Trypanosoma brucei	hypothetical protein, conserved	0.0079	0.1384	0.298
Onchocerca volvulus		0.0223	0.4292	0.7832
Schistosoma mansoni	hypothetical protein	0.0173	0.3285	0.4804
Trypanosoma cruzi	hypothetical protein, conserved	0.0079	0.1384	0.298
Brugia malayi	hypothetical protein	0.0241	0.4669	0.9751
Mycobacterium leprae	Probable lipase LipE	0.0079	0.1384	0.5
Onchocerca volvulus		0.0018	0.015	0.0274
Trichomonas vaginalis	esterase, putative	0.0079	0.1384	0.2219
Mycobacterium tuberculosis	Probable lipase LipD	0.0079	0.1384	0.1253
Trichomonas vaginalis	D-aminoacylase, putative	0.0079	0.1384	0.2219
Onchocerca volvulus		0.0049	0.0781	0.1426
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0034	0.0476	0.0697
Trypanosoma cruzi	fatty acid desaturase, putative	0.0223	0.4292	1
Echinococcus granulosus	Fatty acid desaturase type 1	0.0018	0.015	0.0219
Loa Loa (eye worm)	fatty acid desaturase	0.0018	0.015	0.0219
Mycobacterium tuberculosis	Conserved protein	0.0079	0.1384	0.1253
Brugia malayi	Protein kinase domain containing protein	0.0113	0.208	0.4344
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0021	0.0216	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0018	0.015	0.0219
Schistosoma mansoni	hypothetical protein	0.0037	0.053	0.0774
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0024	0.0271	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0035	0.0503	0.2725
Trypanosoma brucei	importin beta-1 subunit, putative	0.0033	0.0446	0.0715
Loa Loa (eye worm)	hypothetical protein	0.0241	0.4669	0.6828
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0079	0.1384	0.2024
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0035	0.0503	0.0735
Brugia malayi	phosphoinositide-dependent protein kinase I	0.0113	0.208	0.4344
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0321	0.0199
Schistosoma mansoni	survival motor neuron protein	0.0049	0.0781	0.1143
Trichomonas vaginalis	ran, putative	0.0024	0.0271	0.0105
Loa Loa (eye worm)	hypothetical protein	0.0079	0.1384	0.2024
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0021	0.0216	0.0316
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0024	0.0271	0.0397
Echinococcus multilocularis	geminin	0.0173	0.3285	0.4804
Mycobacterium tuberculosis	Conserved protein	0.0079	0.1384	0.1253
Leishmania major	hypothetical protein, conserved	0.0082	0.1445	0.3126
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.0113	0.208	0.3042
Mycobacterium ulcerans	beta-lactamase	0.0079	0.1384	1
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0026	0.0321	0.0413
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0021	0.0216	0.0316
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0079	0.1384	0.1253
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0024	0.0271	0.0293
Loa Loa (eye worm)	beta-lactamase	0.0079	0.1384	0.2024
Mycobacterium tuberculosis	Conserved protein	0.0079	0.1384	0.1253
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0079	0.1384	0.1253
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0247	0.4788	0.7002
Leishmania major	stearic acid desaturase, putative	0.0223	0.4292	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0079	0.1384	0.2024
Echinococcus multilocularis	Fatty acid desaturase, type 1	0.0018	0.015	0.0219
Plasmodium falciparum	ataxin-2 like protein, putative	0.0082	0.1445	0.3311
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0024	0.0271	0.0149
Plasmodium falciparum	importin beta, putative	0.0033	0.0446	0.0619
Trypanosoma cruzi	hypothetical protein, conserved	0.0079	0.1384	0.298
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0024	0.0271	0.0293
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0146	0.2737	0.4003
Trichomonas vaginalis	D-aminoacylase, putative	0.0079	0.1384	0.2219
Mycobacterium ulcerans	lipase LipD	0.0079	0.1384	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0082	0.1445	0.3311
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.0113	0.208	0.3042
Trypanosoma brucei	PAB1-binding protein , putative	0.0082	0.1445	0.3126
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0024	0.0271	0.0293
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0079	0.1384	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0021	0.0216	0.016
Toxoplasma gondii	LsmAD domain-containing protein	0.0082	0.1445	1
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0037	0.053	0.0774
Schistosoma mansoni	importin beta-1	0.0033	0.0446	0.0652
Trypanosoma brucei	fatty acid desaturase, putative	0.0223	0.4292	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0146	0.2737	0.4003
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0021	0.0216	0.016
Brugia malayi	hypothetical protein	0.0053	0.0857	0.1789
Brugia malayi	beta-lactamase family protein	0.0079	0.1384	0.289
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0146	0.2737	0.4003
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0021	0.0216	0.5
Schistosoma mansoni	ran	0.0024	0.0271	0.0397
Plasmodium vivax	importin-beta 2, putative	0.0033	0.0446	0.0619
Echinococcus granulosus	importin subunit beta 1	0.0033	0.0446	0.0652
Loa Loa (eye worm)	hypothetical protein	0.0079	0.1384	0.2024
Loa Loa (eye worm)	hypothetical protein	0.0079	0.1384	0.2024
Brugia malayi	Fatty acid desaturase family protein	0.0018	0.015	0.0313
Trichomonas vaginalis	importin beta-1, putative	0.0026	0.0321	0.0199
Brugia malayi	beta-lactamase family protein	0.0079	0.1384	0.289
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0503	0.0735
Trichomonas vaginalis	penicillin-binding protein, putative	0.0079	0.1384	0.2219
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0037	0.053	0.0774
Brugia malayi	exodeoxyribonuclease III family protein	0.0021	0.0216	0.0451
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0146	0.2737	0.4003
Trichomonas vaginalis	AGC family protein kinase	0.0113	0.208	0.3542
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0079	0.1384	0.2024
Brugia malayi	Delta5 fatty acid desaturase	0.0018	0.015	0.0313
Leishmania major	hypothetical protein, conserved	0.0079	0.1384	0.298
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0503	0.0735
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0024	0.0271	0.0938
Loa Loa (eye worm)	hypothetical protein	0.0079	0.1384	0.2024
Trichomonas vaginalis	D-aminoacylase, putative	0.0079	0.1384	0.2219
Echinococcus multilocularis	importin subunit beta 1	0.0033	0.0446	0.0652
Brugia malayi	Pre-SET motif family protein	0.0035	0.0503	0.105
Mycobacterium leprae	conserved hypothetical protein	0.0079	0.1384	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0146	0.2737	0.4003
Trichomonas vaginalis	set domain proteins, putative	0.0281	0.548	1
Toxoplasma gondii	HEAT repeat-containing protein	0.0033	0.0446	0.2285
Onchocerca volvulus		0.0035	0.0503	0.0918
Entamoeba histolytica	hypothetical protein	0.0026	0.0321	0.0562
Schistosoma mansoni	fatty acid desaturase	0.0018	0.015	0.0219
Entamoeba histolytica	Ran family GTPase	0.0024	0.0271	0.0297
Echinococcus granulosus	beta LACTamase domain containing family member	0.0079	0.1384	0.2024
Plasmodium vivax	SET domain protein, putative	0.0035	0.0503	0.0773
Loa Loa (eye worm)	hypothetical protein	0.0082	0.1445	0.2113
Onchocerca volvulus		0.0079	0.1384	0.2526
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0079	0.1384	0.2024
Onchocerca volvulus		0.0079	0.1384	0.2526
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0021	0.0216	0.0536
Echinococcus granulosus	3-phosphoinositide-dependent protein kinase 1	0.0113	0.208	0.3042
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0024	0.0271	0.0149
Brugia malayi	acyl-CoA desaturase	0.0205	0.3927	0.8201
Loa Loa (eye worm)	acyl-CoA desaturase	0.0205	0.3927	0.5742
Entamoeba histolytica	protein kinase, putative	0.0113	0.208	1
Onchocerca volvulus		0.0079	0.1384	0.2526
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0024	0.0271	0.0397
Echinococcus granulosus	snurportin 1	0.0348	0.6838	1
Brugia malayi	hypothetical protein	0.0082	0.1445	0.3017
Plasmodium vivax	stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative	0.0205	0.3927	1
Trichomonas vaginalis	AGC family protein kinase	0.0113	0.208	0.3542
Trypanosoma cruzi	fatty acid desaturase, putative	0.0205	0.3927	0.9119
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0321	0.0199
Echinococcus multilocularis	3 phosphoinositide dependent protein kinase 1	0.0113	0.208	0.3042
Mycobacterium tuberculosis	Probable hydrolase	0.0079	0.1384	0.1253
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0024	0.0271	0.0567
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0079	0.1384	0.289
Plasmodium falciparum	stearoyl-CoA desaturase	0.0205	0.3927	1
Mycobacterium ulcerans	hypothetical protein	0.0079	0.1384	1
Brugia malayi	RNA, U transporter 1	0.0093	0.1664	0.3475
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0446	0.0652
Echinococcus granulosus	survival motor neuron protein 1	0.0241	0.4669	0.6828
Echinococcus granulosus	geminin	0.0173	0.3285	0.4804
Brugia malayi	Importin beta-1 subunit	0.0033	0.0446	0.0931
Leishmania major	fatty-acid desaturase, putative	0.0223	0.4292	1
Schistosoma mansoni	ap endonuclease	0.0021	0.0216	0.0316
Schistosoma mansoni	hypothetical protein	0.0173	0.3285	0.4804
Plasmodium vivax	ataxin-2 like protein, putative	0.0082	0.1445	0.3311
Toxoplasma gondii	exonuclease III APE	0.0021	0.0216	0.0511
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0021	0.0216	0.016
Plasmodium vivax	hypothetical protein, conserved	0.0079	0.1384	0.3147
Loa Loa (eye worm)	fatty acid desaturase	0.0018	0.015	0.0219
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0021	0.0216	0.0316
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0503	0.0735
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0503	0.0735
Echinococcus multilocularis	snurportin 1	0.0348	0.6838	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0021	0.0216	0.5
Mycobacterium tuberculosis	Probable esterase LipL	0.0079	0.1384	0.1253
Brugia malayi	Pre-SET motif family protein	0.0247	0.4788	1
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0348	0.6838	1
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0024	0.0271	0.0397
Echinococcus granulosus	histone lysine methyltransferase setb	0.0035	0.0503	0.0735
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0079	0.1384	0.1253
Echinococcus multilocularis	survival motor neuron protein 1	0.0241	0.4669	0.6828
Trypanosoma brucei	importin beta-1 subunit, putative	0.0033	0.0446	0.0715
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0035	0.0503	0.0735
Schistosoma mansoni	ap endonuclease	0.0021	0.0216	0.0316
Onchocerca volvulus		0.0223	0.4292	0.7832
Mycobacterium tuberculosis	Probable lipase LipE	0.0079	0.1384	0.1253
Schistosoma mansoni	serine/threonine protein kinase	0.0113	0.208	0.3042
Onchocerca volvulus		0.0281	0.548	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0146	0.2737	0.4003
Brugia malayi	beta-lactamase	0.0079	0.1384	0.289
Trichomonas vaginalis	penicillin-binding protein, putative	0.0079	0.1384	0.2219
Echinococcus multilocularis	Peptidase M, neutral zinc metallopeptidases, zinc binding site	0.0018	0.015	0.0219
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0146	0.2737	0.4003
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0021	0.0216	0.016
Mycobacterium ulcerans	esterase/lipase LipP	0.0079	0.1384	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0082	0.1445	0.3126
Schistosoma mansoni	ran	0.0024	0.0271	0.0397
Trichomonas vaginalis	AGC family protein kinase	0.0113	0.208	0.3542
Schistosoma mansoni	hypothetical protein	0.0348	0.6838	1
Trypanosoma cruzi	fatty acid desaturase, putative	0.0205	0.3927	0.9119
Loa Loa (eye worm)	hypothetical protein	0.0079	0.1384	0.2024
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0146	0.2737	0.5716

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 395 nM	Inhibition of rat SCD1	ChEMBL.	20933412
IC50 (binding)	= 1705 nM	Inhibition of human SCD1	ChEMBL.	20933412
IC50 (binding)	> 20000 nM	Inhibition of human SCD5	ChEMBL.	20933412

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: CHEMBL1271986

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 1247448