TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 483.35 | Formula: C23H20Cl2N6O2
H donors: 2 H acceptors: 4 LogP: 3.11 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)NCCn1c2nc(NCc3ccc(c(c3)Cl)Cl)ccc2nc(c1=O)c1cccnc1
InChi: 1S/C23H20Cl2N6O2/c1-14(32)27-9-10-31-22-19(29-21(23(31)33)16-3-2-8-26-13-16)6-7-20(30-22)28-12-15-4-5-17(24)18(25)11-15/h2-8,11,13H,9-10,12H2,1H3,(H,27,32)(H,28,30)
InChiKey: BTTIPGMFWRCWMD-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	Fatty acid desaturase 2	Starlite/ChEMBL	References
Rattus norvegicus	Fatty acid 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
Leishmania donovani	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
Leishmania infantum	delta-5 fatty acid desaturase, putative	Get druggable targets OG5_128446	All targets in OG5_128446
Trypanosoma cruzi	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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128446	All targets in OG5_128446
Leishmania braziliensis	delta-5 fatty acid desaturase, putative	Get druggable targets OG5_128446	All targets in OG5_128446
Leishmania mexicana	fatty-acid desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Leishmania donovani	fatty acid desaturase, putative	Get druggable targets OG5_128446	All targets in OG5_128446
Onchocerca volvulus		Get druggable targets OG5_128446	All targets in OG5_128446
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
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
Plasmodium berghei	stearoyl-CoA desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Brugia malayi	Delta5 fatty acid desaturase	Get druggable targets OG5_128446	All targets in OG5_128446
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128446	All targets in OG5_128446
Leishmania braziliensis	fatty-acid desaturase, putative	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
Schistosoma mansoni	fatty acid desaturase	Get druggable targets OG5_128446	All targets in OG5_128446
Brugia malayi	acyl-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
Neospora caninum	fatty acyl-CoA 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	stearic acid desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Candida albicans	similar to Mucor rouxii delta(6)-desaturase which converts linoleic acid to Gamma-linolenic acid	Get druggable targets OG5_128446	All targets in OG5_128446
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
Leishmania infantum	fatty-acid desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Candida albicans	similar to Mucor rouxii delta(6)-desaturase which converts linoleic acid to Gamma-linolenic acid	Get druggable targets OG5_128446	All targets in OG5_128446
Leishmania major	delta-5 fatty acid desaturase	Get druggable targets OG5_128446	All targets in OG5_128446
Leishmania braziliensis	stearic acid desaturase	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 brucei gambiense	fatty 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 brucei	fatty acid desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Schistosoma japonicum	ko:K10226 fatty acid desaturase 2, putative	Get druggable targets OG5_128446	All targets in OG5_128446
Onchocerca volvulus		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)	FAT-3 protein	Get druggable targets OG5_128446	All targets in OG5_128446
Leishmania infantum	stearic acid desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Leishmania mexicana	fatty acid desaturase, putative	Get druggable targets OG5_128446	All targets in OG5_128446
Onchocerca volvulus		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
Onchocerca volvulus		Fatty acid desaturase 2	444 aa	422 aa	29.6 %
Dictyostelium discoideum	delta 5 fatty acid desaturase	Fatty acid desaturase 2	444 aa	452 aa	23.7 %
Dictyostelium discoideum	delta 5 fatty acid desaturase	Fatty acid desaturase 2	444 aa	470 aa	24.5 %
Dictyostelium discoideum	delta 5 fatty acid desaturase	Fatty acid desaturase 2	444 aa	464 aa	26.1 %
Onchocerca volvulus		Fatty acid desaturase 2	444 aa	431 aa	28.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related	0.0033	0.0232	0.0502
Treponema pallidum	gamma-glutamyl phosphate reductase	0.0018	0.0026	0.5
Echinococcus granulosus	lysine specific demethylase 5A	0.0124	0.1455	0.3482
Brugia malayi	Fatty acid desaturase family protein	0.0024	0.0109	0.0125
Echinococcus granulosus	phd:f box containing protein	0.0033	0.0232	0.0502
Loa Loa (eye worm)	fatty acid desaturase	0.0024	0.0109	0.0096
Onchocerca volvulus		0.016	0.1939	0.1918
Plasmodium falciparum	JmjC domain-containing protein, putative	0.0033	0.0232	0.0764
Brugia malayi	acyl-CoA desaturase	0.0136	0.1617	0.1846
Brugia malayi	Pre-SET motif family protein	0.0669	0.876	1
Entamoeba histolytica	aldehyde-alcohol dehydrogenase 2, putative	0.0018	0.0026	0.5
Brugia malayi	jmjC domain containing protein	0.0124	0.1455	0.166
Trypanosoma brucei	JmjC domain, hydroxylase, putative	0.0033	0.0232	0.107
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0117	0.0474
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0096	0.1074	0.2555
Entamoeba histolytica	aldehyde-alcohol dehydrogenase 2, putative	0.0018	0.0026	0.5
Mycobacterium ulcerans	linoleoyl-CoA desaturase, DesA3_2	0.0024	0.0109	0.0203
Loa Loa (eye worm)	jmjC domain-containing protein	0.0124	0.1455	0.1636
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0669	0.876	1
Wolbachia endosymbiont of Brugia malayi	bifunctional proline dehydrogenase/pyrroline-5-carboxylate dehydrogenase	0.0018	0.0026	0.5
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0096	0.1074	0.2555
Loa Loa (eye worm)	FAT-3 protein	0.024	0.3009	0.3416
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0324	0.4128	1
Loa Loa (eye worm)	acyl-CoA desaturase	0.0136	0.1617	0.1822
Brugia malayi	Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial precursor	0.0018	0.0026	0.0029
Entamoeba histolytica	aldehyde dehydrogenase 1, putative	0.0018	0.0026	0.5
Entamoeba histolytica	aldehyde-alcohol dehydrogenase 2, putative	0.0018	0.0026	0.5
Mycobacterium tuberculosis	Possible electron transfer protein FdxB	0.0024	0.0109	0.0203
Brugia malayi	jmjC domain containing protein	0.0033	0.0232	0.0264
Trypanosoma brucei	cytochrome b5-dependent oleate desaturase	0.0024	0.0109	0.0434
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0386	0.0878
Loa Loa (eye worm)	hypothetical protein	0.024	0.3009	0.3416
Onchocerca volvulus		0.016	0.1939	0.1918
Schistosoma mansoni	protein phosphatase 2C	0.0033	0.0232	0.0502
Plasmodium vivax	JmjC domain containing protein	0.0033	0.0232	0.0764
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0386	0.044
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0324	0.4128	1
Echinococcus multilocularis	Peptidase M, neutral zinc metallopeptidases, zinc binding site	0.0024	0.0109	0.0203
Brugia malayi	Pre-SET motif family protein	0.0096	0.1074	0.1226
Echinococcus multilocularis	lysine specific demethylase 5A	0.0124	0.1455	0.3482
Echinococcus multilocularis	jumonji domain containing 1A	0.0033	0.0232	0.0502
Echinococcus multilocularis	JmjC domain containing protein 4	0.0033	0.0232	0.0502
Brugia malayi	Delta5 fatty acid desaturase	0.024	0.3009	0.3435
Echinococcus granulosus	JmjC domain containing protein 4	0.0033	0.0232	0.0502
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0117	0.0222
Giardia lamblia	Alcohol dehydrogenase	0.0018	0.0026	0.5
Schistosoma mansoni	jumonji domain containing protein	0.0033	0.0232	0.0502
Trypanosoma cruzi	fatty acid desaturase, putative	0.0137	0.1627	0.8324
Toxoplasma gondii	histone lysine demethylase JMJC1/KDM5D/JARID1D	0.0033	0.0232	0.0502
Loa Loa (eye worm)	jmjC domain-containing protein	0.0033	0.0232	0.0236
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0117	0.0474
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0324	0.4128	1
Onchocerca volvulus		0.0096	0.1074	0.1051
Plasmodium falciparum	stearoyl-CoA desaturase	0.0136	0.1617	1
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0109	0.0203
Leishmania major	fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative	0.0024	0.0109	0.0203
Loa Loa (eye worm)	jmjC domain-containing protein	0.0033	0.0232	0.0236
Mycobacterium ulcerans	transmembrane alkane 1-monooxygenase AlkB	0.0024	0.0109	0.0203
Brugia malayi	follicle stimulating hormone receptor	0.048	0.6228	0.711
Echinococcus multilocularis	lysine specific demethylase 6a	0.0033	0.0232	0.0502
Echinococcus granulosus	Sphingolipid delta4 desaturase DES1	0.0024	0.0109	0.0203
Schistosoma mansoni	aldehyde dehydrogenase	0.0324	0.4128	1
Mycobacterium ulcerans	electron transfer protein FdxB	0.0024	0.0109	0.0203
Plasmodium vivax	SET domain protein, putative	0.0096	0.1074	0.638
Brugia malayi	Succinate semialdehyde dehydrogenase, mitochondrial precursor	0.0018	0.0026	0.0029
Echinococcus multilocularis	phd:f box containing protein	0.0033	0.0232	0.0502
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0124	0.1455	0.3482
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0124	0.1455	0.3482
Mycobacterium tuberculosis	Probable transmembrane alkane 1-monooxygenase AlkB (alkane 1-hydroxylase) (lauric acid omega-hydroxylase) (omega-hydroxylase) (f	0.0024	0.0109	0.0203
Leishmania major	hypothetical protein, conserved	0.0033	0.0232	0.0502
Echinococcus granulosus	lysine specific demethylase 6a	0.0033	0.0232	0.0502
Trypanosoma cruzi	fatty acid desaturase, putative	0.0137	0.1627	0.8324
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0096	0.1074	0.2555
Leishmania major	delta-6 fatty acid desaturase	0.0025	0.0119	0.0228
Trypanosoma cruzi	delta-4 fatty acid desaturase, putative	0.0025	0.0119	0.0487
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0324	0.4128	1
Schistosoma mansoni	phosphatidylserine receptor	0.0033	0.0232	0.0502
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0033	0.0232	0.0502
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0232	0.0236
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0386	0.0878
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0386	0.0878
Toxoplasma gondii	aldehyde dehydrogenase	0.0324	0.4128	1
Plasmodium vivax	stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative	0.0136	0.1617	1
Leishmania major	hypothetical protein, conserved	0.0025	0.0117	0.0222
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0386	0.0878
Leishmania major	delta-4 fatty acid desaturase	0.0024	0.0109	0.0203
Brugia malayi	aldehyde dehydrogenase	0.0018	0.0026	0.0029
Brugia malayi	jmjC domain containing protein	0.0033	0.0232	0.0264
Loa Loa (eye worm)	hypothetical protein	0.0216	0.2687	0.3047
Schistosoma mansoni	aldehyde dehydrogenase	0.0324	0.4128	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0324	0.4128	1
Leishmania major	fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative	0.0024	0.0109	0.0203
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0124	0.1455	0.3482
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0386	0.0878
Brugia malayi	Aldehyde dehydrogenase protein 4	0.0018	0.0026	0.0029
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0386	0.0878
Trypanosoma cruzi	delta-4 fatty acid desaturase, putative	0.0025	0.0119	0.0487
Brugia malayi	Fatty acid desaturase family protein	0.0024	0.0109	0.0125
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0033	0.0232	0.107
Schistosoma mansoni	phd/f-box containing protein	0.0033	0.0232	0.0502
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0117	0.0474
Brugia malayi	jmjC domain containing protein	0.0033	0.0232	0.0264
Leishmania major	fatty acid desaturase, putative	0.0024	0.0109	0.0203
Trypanosoma brucei	delta-4 fatty acid desaturase	0.0024	0.0109	0.0434
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0324	0.4128	1
Trypanosoma brucei	delta-6 fatty acid desaturase, putative	0.0024	0.0109	0.0434
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0096	0.1074	0.2555
Echinococcus granulosus	Fatty acid desaturase type 1	0.0024	0.0109	0.0203
Trypanosoma cruzi	fatty acid desaturase, putative	0.0161	0.195	1
Onchocerca volvulus		0.0241	0.302	0.3002
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0232	0.0236
Trypanosoma brucei	sphingolipid delta 4 desaturase, putative	0.0024	0.0109	0.0434
Trypanosoma cruzi	sphingolipid delta 4 desaturase, putative	0.0024	0.0109	0.0434
Echinococcus multilocularis	Fatty acid desaturase, type 1	0.0024	0.0109	0.0203
Mycobacterium leprae	PROBABLE SUCCINATE-SEMIALDEHYDE DEHYDROGENASE [NADP+] DEPENDENT (SSDH) GABD	0.0018	0.0026	0.5
Leishmania major	delta-12 fatty acid desaturase	0.0024	0.0109	0.0203
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0386	0.0412
Echinococcus multilocularis	Peptidase M, neutral zinc metallopeptidases, zinc binding site	0.0024	0.0109	0.0203
Mycobacterium leprae	PROBABLE ALDEHYDE DEHYDROGENASE (NAD+) DEPENDENT	0.0018	0.0026	0.5
Leishmania major	fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative	0.0024	0.0109	0.0203
Brugia malayi	hypothetical protein	0.0025	0.0117	0.0134
Loa Loa (eye worm)	fatty acid desaturase	0.0024	0.0109	0.0096
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0386	0.0878
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0117	0.0104
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0033	0.0232	0.107
Echinococcus granulosus	jumonji domain containing 1A	0.0033	0.0232	0.0502
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.048	0.6228	0.7101
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0124	0.1455	0.3482
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0324	0.4128	1
Leishmania major	fatty acid desaturase, putative	0.0024	0.0109	0.0203
Echinococcus granulosus	histone lysine methyltransferase setb	0.0096	0.1074	0.2555
Leishmania major	stearic acid desaturase, putative	0.0161	0.195	0.4689
Brugia malayi	jmjC domain containing protein	0.0033	0.0232	0.0264
Mycobacterium leprae	PROBABLE GAMMA-GLUTAMYL PHOSPHATE REDUCTASE PROTEIN PROA (GPR) (GLUTAMATE-5-SEMIALDEHYDE DEHYDROGENASE) (GLUTAMYL-GAMMA-SEMIALDE	0.0018	0.0026	0.5
Trypanosoma cruzi	fatty acid desaturase, putative	0.0024	0.0109	0.0434
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0092	0.1027	0.2439
Trichomonas vaginalis	set domain proteins, putative	0.0761	1	1
Mycobacterium ulcerans	hypothetical protein	0.0025	0.0119	0.0228
Leishmania major	fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative	0.0024	0.0109	0.0203
Schistosoma mansoni	jumonji domain containing protein	0.0124	0.1455	0.3482
Leishmania major	fatty-acid desaturase, putative	0.0161	0.195	0.4689
Trypanosoma brucei	fatty acid desaturase, putative	0.0161	0.195	1
Trypanosoma cruzi	fatty acid desaturase, putative	0.0024	0.0109	0.0434
Schistosoma mansoni	fatty acid desaturase	0.0241	0.302	0.7297
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0033	0.0232	0.0502
Loa Loa (eye worm)	jmjC domain-containing protein	0.0033	0.0232	0.0236
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0096	0.1074	0.2555
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0232	0.0236
Leishmania major	delta-5 fatty acid desaturase	0.024	0.3009	0.7272
Loa Loa (eye worm)	hypothetical protein	0.0096	0.1074	0.12
Toxoplasma gondii	histone lysine demethylase JMJD6a	0.0033	0.0232	0.0502
Brugia malayi	jmjC domain containing protein	0.0124	0.1455	0.166
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0096	0.1074	0.2555
Mycobacterium ulcerans	linoleoyl-CoA desaturase, DesA3	0.0024	0.0109	0.0203
Toxoplasma gondii	sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein	0.0024	0.0109	0.0203
Mycobacterium tuberculosis	Probable conserved membrane protein	0.0025	0.0119	0.0228
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0096	0.1074	0.2555
Mycobacterium ulcerans	linoleoyl-CoA desaturase, DesA3	0.0024	0.0109	0.0203
Trypanosoma cruzi	cytochrome b5-dependent oleate desaturase	0.0024	0.0109	0.0434

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 15 nM	Inhibition of Delta-9-desaturase in human HepG2 cells	ChEMBL.	19249203
IC50 (binding)	> 30 nM	Inhibition of rat microsomal Delta-5-desaturase	ChEMBL.	19249203
IC50 (binding)	> 30 nM	Inhibition of rat microsomal Delta-6-desaturase	ChEMBL.	19249203

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: CHEMBL495001

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 998391