TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 500.592 | Formula: C28H32N6O3
H donors: 2 H acceptors: 5 LogP: 2.53 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: OC(c1cccnc1)CNC(=O)c1ccc(nn1)N1CCC2(CC1)CCN(c1c(O2)cccc1)C1CC1
InChi: 1S/C28H32N6O3/c35-24(20-4-3-14-29-18-20)19-30-27(36)22-9-10-26(32-31-22)33-15-11-28(12-16-33)13-17-34(21-7-8-21)23-5-1-2-6-25(23)37-28/h1-6,9-10,14,18,21,24,35H,7-8,11-13,15-17,19H2,(H,30,36)
InChiKey: QAMXUJBDEIZWBO-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
Mus musculus	stearoyl-Coenzyme A desaturase 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania mexicana	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
Leishmania mexicana	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
Trypanosoma brucei	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
Onchocerca volvulus		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
Leishmania donovani	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
Plasmodium berghei	stearoyl-CoA desaturase, putative	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
Trypanosoma cruzi	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 infantum	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
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
Loa Loa (eye worm)	acyl-CoA desaturase	Get druggable targets OG5_126939	All targets in OG5_126939
Onchocerca volvulus		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
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 major	fatty-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 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
Plasmodium yoelii	delta-9 fatty 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

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
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0299	0.6221	1
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.0302	0.012
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0299	0.6221	1
Brugia malayi	Papain family cysteine protease containing protein	0.0154	0.3011	0.2879
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0299	0.6221	1
Onchocerca volvulus	Cathepsin F homolog	0.0299	0.6221	0.6104
Brugia malayi	Pre-SET motif family protein	0.0032	0.0301	0.0118
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0099	0.1789	0.1777
Giardia lamblia	Cysteine protease	0.0055	0.0822	0.5
Entamoeba histolytica	cysteine protease, putative	0.0154	0.3011	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0099	0.1789	0.1634
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.005	0.0701	0.094
Loa Loa (eye worm)	fibroinase	0.0299	0.6221	0.6216
Leishmania major	cathepsin L-like protease	0.0299	0.6221	1
Giardia lamblia	Cathepsin L precursor	0.0055	0.0822	0.5
Brugia malayi	Papain family cysteine protease containing protein	0.0299	0.6221	0.615
Brugia malayi	cathepsin L precursor	0.0055	0.0822	0.0649
Plasmodium vivax	serine-repeat antigen (SERA)	0.0055	0.0822	0.088
Leishmania major	cathepsin L-like protease	0.0299	0.6221	1
Schistosoma mansoni	bromodomain containing protein	0.0067	0.1085	0.1456
Plasmodium vivax	unspecified product	0.0055	0.0822	0.088
Loa Loa (eye worm)	glutaminase	0.0265	0.5451	0.5445
Plasmodium vivax	vivapain-3	0.0154	0.3011	0.4577
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0299	0.6221	1
Brugia malayi	MH2 domain containing protein	0.0121	0.2283	0.2138
Trichomonas vaginalis	glutaminase, putative	0.0265	0.5451	0.8573
Loa Loa (eye worm)	hypothetical protein	0.0099	0.1789	0.1777
Giardia lamblia	Cathepsin L precursor	0.0055	0.0822	0.5
Loa Loa (eye worm)	glutaminase 2	0.0265	0.5451	0.5445
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0822	0.0808
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0299	0.6221	1
Toxoplasma gondii	preprocathepsin c precursor, putative	0.0055	0.0822	0.088
Onchocerca volvulus		0.0299	0.6221	0.6104
Entamoeba histolytica	cysteine protease, putative	0.0154	0.3011	0.4054
Trypanosoma cruzi	cysteine peptidase, putative	0.0299	0.6221	1
Echinococcus granulosus	cathepsin b	0.0055	0.0822	0.1102
Onchocerca volvulus		0.0299	0.6221	0.6104
Loa Loa (eye worm)	hypothetical protein	0.02	0.4032	0.4024
Schistosoma mansoni	hypothetical protein	0.0069	0.1117	0.1499
Schistosoma mansoni	zinc finger protein	0.0021	0.0059	0.0079
Brugia malayi	Cathepsin L-like precursor	0.0299	0.6221	0.615
Giardia lamblia	Cysteine protease	0.0055	0.0822	0.5
Echinococcus multilocularis	inositol monophosphatase 1	0.0078	0.1334	0.1789
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0055	0.0822	0.1102
Entamoeba histolytica	cysteine protease, putative	0.0154	0.3011	0.4054
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0221	0.4486	0.4479
Brugia malayi	cathepsin L-like cysteine proteinase	0.0055	0.0822	0.0649
Plasmodium vivax	vivapain-2	0.0299	0.6221	1
Entamoeba histolytica	cysteine proteinase, putative	0.0154	0.3011	0.4054
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0032	0.0302	0.0405
Giardia lamblia	Cysteine protease	0.0055	0.0822	0.5
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0055	0.0822	0.0808
Giardia lamblia	Cathepsin L precursor	0.0055	0.0822	0.5
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0055	0.0822	0.1102
Echinococcus granulosus	inositol monophosphatase 1	0.0078	0.1334	0.1789
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0055	0.0822	0.0808
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0154	0.3011	0.4054
Schistosoma mansoni	hypothetical protein	0.0032	0.0302	0.0405
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0055	0.0822	0.0649
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0299	0.6221	1
Brugia malayi	Inositol-1	0.0078	0.1334	0.1171
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0055	0.0822	0.088
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0299	0.6221	1
Echinococcus granulosus	cathepsin l1	0.02	0.4032	0.5407
Schistosoma mansoni	cathepsin B (C01 family)	0.0055	0.0822	0.1102
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0299	0.6221	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0299	0.6221	0.8343
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0154	0.3011	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0299	0.6221	1
Brugia malayi	Cathepsin L-like precursor	0.0299	0.6221	0.615
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0299	0.6221	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0121	0.2283	0.2272
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0024	0.0129	0.0173
Giardia lamblia	Cathepsin B precursor	0.0055	0.0822	0.5
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0055	0.0822	0.1102
Onchocerca volvulus	Cathepsin L homolog	0.0055	0.0822	0.0537
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0055	0.0822	0.5
Plasmodium vivax	vivapain-1	0.0154	0.3011	0.4577
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.005	0.0701	0.094
Trypanosoma cruzi	cysteine peptidase, putative	0.0299	0.6221	1
Toxoplasma gondii	cathepsin B	0.0055	0.0822	0.088
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0299	0.6221	1
Onchocerca volvulus		0.0252	0.5162	0.5012
Echinococcus multilocularis	cathepsin L	0.0055	0.0822	0.1102
Leishmania major	cathepsin L-like protease	0.0299	0.6221	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0299	0.6221	1
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0078	0.1334	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0299	0.6221	1
Giardia lamblia	Cysteine protease	0.0055	0.0822	0.5
Trypanosoma cruzi	cruzipain precursor, putative	0.0299	0.6221	1
Schistosoma mansoni	hypothetical protein	0.0032	0.0302	0.0405
Onchocerca volvulus		0.0299	0.6221	0.6104
Giardia lamblia	Cathepsin B precursor	0.0055	0.0822	0.5
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0094	0.1683	0.1671
Schistosoma mansoni	cathepsin S (C01 family)	0.0055	0.0822	0.1102
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0032	0.0302	0.0405
Entamoeba histolytica	cysteine protease, putative	0.0154	0.3011	0.4054
Leishmania major	cathepsin L-like protease	0.0299	0.6221	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.01	0.182	0.1666
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0299	0.6221	0.8343
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0055	0.0822	0.1102
Brugia malayi	cathepsin F-like cysteine proteinase	0.0055	0.0822	0.0649
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0055	0.0822	0.1102
Giardia lamblia	Cathepsin L-like protease	0.0055	0.0822	0.5
Echinococcus granulosus	cathepsin l1	0.0299	0.6221	0.8343
Loa Loa (eye worm)	ctsf protein	0.0299	0.6221	0.6216
Onchocerca volvulus	Cathepsin L homolog	0.0299	0.6221	0.6104
Loa Loa (eye worm)	PHD-finger family protein	0.0022	0.0084	0.007
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0299	0.6221	1
Toxoplasma gondii	cathepsin CPL	0.0299	0.6221	1
Echinococcus multilocularis	zinc finger protein	0.0021	0.0059	0.0079
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0024	0.0129	0.0173
Brugia malayi	latrophilin 2 splice variant baaae	0.0069	0.1117	0.0951
Onchocerca volvulus		0.02	0.4032	0.3847
Plasmodium vivax	stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative	0.0205	0.4125	0.6459
Echinococcus multilocularis	cathepsin L cysteine protease	0.0299	0.6221	0.8343
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0299	0.6221	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0302	0.0288
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0822	0.0808
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0822	0.0808
Giardia lamblia	Cathepsin L-like protease	0.0055	0.0822	0.5
Brugia malayi	Papain family cysteine protease containing protein	0.0055	0.0822	0.0649
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0301	0.0403
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.0055	0.0822	0.088
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0055	0.0822	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.01	0.182	0.1808
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0055	0.0822	0.1102
Echinococcus granulosus	zinc finger protein	0.0021	0.0059	0.0079
Entamoeba histolytica	cysteine protease, putative	0.0154	0.3011	0.4054
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0154	0.3011	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0299	0.6221	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0055	0.0822	0.1102
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0299	0.6221	1
Leishmania major	cathepsin L-like protease	0.0299	0.6221	1
Plasmodium vivax	serine-repeat antigen (SERA)	0.0055	0.0822	0.088
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0299	0.6221	1
Echinococcus granulosus	GPCR family 2	0.0032	0.0302	0.0405
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0055	0.0822	0.088
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0063	0.1001	0.1343
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0154	0.3011	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0501	0.0487
Giardia lamblia	Cathepsin B-like cysteine proteinase 3 precursor	0.0055	0.0822	0.5
Giardia lamblia	Cathepsin B precursor	0.0055	0.0822	0.5
Schistosoma mansoni	hypothetical protein	0.0355	0.7457	1
Plasmodium vivax	serine-repeat antigen 4 (SERA), putative	0.0055	0.0822	0.088
Loa Loa (eye worm)	cathepsin B	0.0055	0.0822	0.0808
Trypanosoma cruzi	fatty acid desaturase, putative	0.0205	0.4125	0.6117
Toxoplasma gondii	cathepsin CPC2	0.0055	0.0822	0.088
Echinococcus multilocularis	cysteine protease	0.0299	0.6221	0.8343
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0556	0.0543
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0032	0.0302	0.0405
Plasmodium vivax	dipeptidyl aminopeptidase 3, putative	0.0055	0.0822	0.088
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.02	0.4032	0.5946
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0094	0.1683	0.2257
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0078	0.1334	0.0949
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0055	0.0822	0.0808
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0154	0.3011	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0055	0.0822	0.1102
Trypanosoma cruzi	cysteine peptidase, putative	0.0099	0.1789	0.1791
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0063	0.1001	0.1343
Plasmodium vivax	unspecified product	0.0154	0.3011	0.4577
Onchocerca volvulus		0.0299	0.6221	0.6104
Brugia malayi	Cathepsin L-like precursor	0.0299	0.6221	0.615
Echinococcus granulosus	cathepsin L	0.0055	0.0822	0.1102
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0055	0.0822	0.1102
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0038	0.0443	0.0594
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0299	0.6221	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0055	0.0822	0.1102
Entamoeba histolytica	cysteine proteinase, putative	0.0154	0.3011	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0299	0.6221	0.615
Loa Loa (eye worm)	hypothetical protein	0.0099	0.1789	0.1777
Brugia malayi	Bromodomain containing protein	0.008	0.1361	0.1198
Trypanosoma brucei	fatty acid desaturase, putative	0.0223	0.4523	0.6855
Plasmodium vivax	serine-repeat antigen 4 (SERA)	0.0055	0.0822	0.088
Giardia lamblia	Cathepsin B precursor	0.0055	0.0822	0.5
Echinococcus multilocularis	Protein lozenge	0.0059	0.0904	0.1213
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0032	0.0301	0.0403
Schistosoma mansoni	inositol monophosphatase	0.0078	0.1334	0.1789
Leishmania major	cathepsin L-like protease	0.0299	0.6221	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0154	0.3011	0.4054
Loa Loa (eye worm)	hypothetical protein	0.01	0.182	0.1808
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0154	0.3011	0.4054
Toxoplasma gondii	cathepsin CPC1	0.0055	0.0822	0.088
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0299	0.6221	1
Giardia lamblia	Encystation-specific protease	0.0055	0.0822	0.5
Mycobacterium ulcerans	glutaminase	0.0265	0.5451	1
Onchocerca volvulus		0.0299	0.6221	0.6104
Entamoeba histolytica	cysteine protease, putative	0.0154	0.3011	0.4054
Giardia lamblia	Cathepsin B precursor	0.0055	0.0822	0.5
Leishmania major	cysteine peptidase A (CPA)	0.0299	0.6221	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0094	0.1683	0.2257
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0822	0.0808
Schistosoma mansoni	cathepsin C	0.0055	0.0822	0.1102
Schistosoma mansoni	cathepsin F (C01 family)	0.02	0.4032	0.5407
Plasmodium vivax	serine-repeat antigen 2 (SERA)	0.0055	0.0822	0.088
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0299	0.6221	1
Loa Loa (eye worm)	runx1	0.0059	0.0904	0.0891
Plasmodium vivax	unspecified product	0.0099	0.1789	0.2513
Entamoeba histolytica	cysteine protease, putative	0.0154	0.3011	0.4054
Brugia malayi	cathepsin F-like cysteine proteinase	0.0099	0.1789	0.1634
Leishmania major	cathepsin L-like protease	0.0299	0.6221	1
Entamoeba histolytica	cysteine protease, putative	0.0154	0.3011	0.4054
Echinococcus multilocularis	geminin	0.0355	0.7457	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0094	0.1683	0.1527
Trypanosoma cruzi	cysteine protease, putative	0.0154	0.3011	0.4054
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0055	0.0822	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0299	0.6221	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0299	0.6221	1
Giardia lamblia	Cathepsin L precursor	0.0055	0.0822	0.5
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0299	0.6221	1
Schistosoma mansoni	hypothetical protein	0.0032	0.0302	0.0405
Entamoeba histolytica	cysteine proteinase 1, putative	0.0154	0.3011	0.4054
Brugia malayi	Bromodomain containing protein	0.0041	0.0499	0.032
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0299	0.6221	1
Entamoeba histolytica	cysteine protease, putative	0.0154	0.3011	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0299	0.6221	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0094	0.1683	0.2257
Brugia malayi	Cathepsin L-like precursor	0.02	0.4032	0.392
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0299	0.6221	1
Giardia lamblia	Cathepsin B precursor	0.0055	0.0822	0.5
Echinococcus multilocularis	cysteine protease	0.0299	0.6221	0.8343
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.02	0.4032	0.5946
Trichomonas vaginalis	set domain proteins, putative	0.0252	0.5162	0.8037
Plasmodium vivax	serine-repeat antigen 5 (SERA)	0.0055	0.0822	0.088
Plasmodium vivax	vivapain-2	0.0299	0.6221	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.02	0.4032	0.5946
Entamoeba histolytica	cysteine proteinase, putative	0.0299	0.6221	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0299	0.6221	1
Giardia lamblia	Cathepsin B precursor	0.0055	0.0822	0.5
Echinococcus multilocularis	cathepsin b	0.0055	0.0822	0.1102
Schistosoma mansoni	hypothetical protein	0.0032	0.0302	0.0405
Brugia malayi	Papain family cysteine protease containing protein	0.0055	0.0822	0.0649
Schistosoma mansoni	hypothetical protein	0.0022	0.0084	0.0113
Echinococcus granulosus	cathepsin L	0.0154	0.3011	0.4037
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0094	0.1683	0.2257
Giardia lamblia	Hypothetical protein	0.0055	0.0822	0.5
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0055	0.0822	0.1102
Schistosoma mansoni	cathepsin F (C01 family)	0.0299	0.6221	0.8343
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.007	0.1152	0.5
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0032	0.0302	0.0405
Loa Loa (eye worm)	hypothetical protein	0.0075	0.126	0.1248
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0078	0.1334	0.0949
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0078	0.1334	0.0949
Onchocerca volvulus	Cathepsin L homolog	0.0299	0.6221	0.6104
Echinococcus multilocularis	cathepsin b	0.0055	0.0822	0.1102
Trypanosoma cruzi	cysteine peptidase, putative	0.0154	0.3011	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0299	0.6221	1
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0099	0.1789	0.1634
Echinococcus granulosus	histone lysine methyltransferase setb	0.005	0.0701	0.094
Onchocerca volvulus		0.0223	0.4523	0.4354
Loa Loa (eye worm)	hypothetical protein	0.02	0.4032	0.4024
Leishmania major	fatty-acid desaturase, putative	0.0223	0.4523	0.6855
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0154	0.3011	0.4037
Entamoeba histolytica	cysteine protease, putative	0.0154	0.3011	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0822	0.0808
Brugia malayi	acyl-CoA desaturase	0.0205	0.4125	0.4014
Loa Loa (eye worm)	hypothetical protein	0.0099	0.1789	0.1777
Trypanosoma cruzi	cysteine peptidase, putative	0.0299	0.6221	1
Entamoeba histolytica	cysteine protease, putative	0.0154	0.3011	0.4054
Brugia malayi	glutaminase DH11.1	0.0265	0.5451	0.5366
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0299	0.6221	0.8343
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0055	0.0822	0.0649
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0299	0.6221	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0822	0.0808
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0299	0.6221	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0299	0.6221	0.6216
Brugia malayi	Cathepsin L-like cysteine proteinase	0.02	0.4032	0.392
Trypanosoma cruzi	cysteine proteinase, putative	0.0154	0.3011	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0299	0.6221	1
Entamoeba histolytica	cysteine proteinase, putative	0.02	0.4032	0.5946
Loa Loa (eye worm)	cysteine protease	0.0299	0.6221	0.6216
Plasmodium falciparum	stearoyl-CoA desaturase	0.0205	0.4125	0.6117
Echinococcus granulosus	fetal alzheimer antigen falz	0.0024	0.0129	0.0173
Onchocerca volvulus		0.0223	0.4523	0.4354
Onchocerca volvulus		0.0055	0.0822	0.0537
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0601	0.0587
Entamoeba histolytica	cysteine protease, putative	0.0154	0.3011	0.4054
Echinococcus granulosus	cathepsin b	0.0055	0.0822	0.1102
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0055	0.0822	0.1102
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0299	0.6221	0.8343
Echinococcus granulosus	cysteine protease	0.0154	0.3011	0.4037
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.0302	0.012
Echinococcus multilocularis	cathepsin L cysteine protease	0.0299	0.6221	0.8343
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0299	0.6221	1
Schistosoma mansoni	cathepsin s	0.0099	0.1789	0.2399
Trichomonas vaginalis	inositol monophosphatase, putative	0.0078	0.1334	0.0949
Schistosoma mansoni	inositol monophosphatase	0.0078	0.1334	0.1789
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0822	0.0808
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.007	0.1152	0.5
Giardia lamblia	Cathepsin B precursor	0.0055	0.0822	0.5
Brugia malayi	Cathepsin L-like precursor	0.0299	0.6221	0.615
Trypanosoma cruzi	cruzipain precursor, putative	0.0099	0.1789	0.1791
Brugia malayi	cathepsin L-like precursor	0.02	0.4032	0.392
Entamoeba histolytica	cysteine proteinase, putative	0.0154	0.3011	0.4054
Brugia malayi	Pre-SET motif family protein	0.0221	0.4486	0.4383
Giardia lamblia	Cathepsin L precursor	0.0055	0.0822	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0299	0.6221	1
Onchocerca volvulus		0.0299	0.6221	0.6104
Plasmodium vivax	serine-repeat antigen 3 (SERA)	0.0055	0.0822	0.088
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0055	0.0822	0.0649
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.005	0.0701	0.094
Schistosoma mansoni	lozenge	0.0059	0.0904	0.1213
Loa Loa (eye worm)	hypothetical protein	0.005	0.0701	0.0688
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0078	0.1334	0.1746
Loa Loa (eye worm)	acyl-CoA desaturase	0.0205	0.4125	0.4116
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0154	0.3011	0.4037
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0299	0.6221	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0121	0.2283	0.2272
Brugia malayi	fibroinase precursor	0.0055	0.0822	0.0649
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0094	0.1683	0.2257
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0055	0.0822	0.1102
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0299	0.6221	1
Echinococcus multilocularis	cathepsin L	0.0154	0.3011	0.4037
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0299	0.6221	0.8343
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.0302	0.0288
Brugia malayi	cathepsin B-like cysteine proteinase	0.0055	0.0822	0.0649
Giardia lamblia	Hypothetical protein	0.0055	0.0822	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.01	0.182	0.1666
Entamoeba histolytica	cysteine protease, putative	0.0154	0.3011	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0055	0.0822	0.1102
Echinococcus granulosus	geminin	0.0355	0.7457	1
Trypanosoma cruzi	fatty acid desaturase, putative	0.0205	0.4125	0.6117
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0094	0.1683	0.2257
Onchocerca volvulus		0.0299	0.6221	0.6104
Brugia malayi	Cathepsin L-like precursor	0.02	0.4032	0.392
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0154	0.3011	0.4037
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0299	0.6221	1
Trypanosoma cruzi	fatty acid desaturase, putative	0.0223	0.4523	0.6855
Echinococcus multilocularis	GPCR, family 2	0.0032	0.0302	0.0405
Trypanosoma cruzi	cysteine peptidase, putative	0.0299	0.6221	1
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.0055	0.0822	0.088
Loa Loa (eye worm)	hypothetical protein	0.02	0.4032	0.4024
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0299	0.6221	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0032	0.0301	0.0403
Entamoeba histolytica	cysteine proteinase, putative	0.0299	0.6221	1
Brugia malayi	Cathepsin L-like precursor	0.0299	0.6221	0.615
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0299	0.6221	1
Brugia malayi	Papain family cysteine protease containing protein	0.0055	0.0822	0.0649
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0038	0.0443	0.0594
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0299	0.6221	0.6216
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0094	0.1683	0.2257
Loa Loa (eye worm)	hypothetical protein	0.0299	0.6221	0.6216
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0078	0.1334	0.0949
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0078	0.1334	0.0949
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0078	0.1334	0.0949
Entamoeba histolytica	cysteine proteinase, putative	0.0154	0.3011	0.4054
Schistosoma mansoni	glutaminase	0.0265	0.5451	0.731
Loa Loa (eye worm)	inositol-1	0.0078	0.1334	0.1322
Entamoeba histolytica	cysteine proteinase 2	0.0154	0.3011	0.4054
Echinococcus granulosus	cathepsin L cysteine protease	0.0154	0.3011	0.4037
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1117	0.1105
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0078	0.1334	0.0949
Giardia lamblia	Cathepsin L precursor	0.0055	0.0822	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0299	0.6221	1
Brugia malayi	Papain family cysteine protease containing protein	0.0154	0.3011	0.2879
Schistosoma mansoni	hypothetical protein	0.0355	0.7457	1
Leishmania major	stearic acid desaturase, putative	0.0223	0.4523	0.6855
Leishmania major	cathepsin L-like protease	0.0299	0.6221	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0031	0.0275	0.0368

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)		Inhibition of human SCD1 transfected in human 293A cells after 30 mins by whole cell assay	ChEMBL.	21356569
IC50 (binding)	> 2 uM	Inhibition of mouse liver microsome SCD1	ChEMBL.	21356569

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: CHEMBL1774096

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1514522