TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 389.426 | Formula: C22H20FN5O
H donors: 1 H acceptors: 3 LogP: 3.54 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(ccc1n1cnc(c1)C)c1ccc(nn1)NCc1ccc(cc1)F
InChi: 1S/C22H20FN5O/c1-15-13-28(14-25-15)20-9-5-17(11-21(20)29-2)19-8-10-22(27-26-19)24-12-16-3-6-18(23)7-4-16/h3-11,13-14H,12H2,1-2H3,(H,24,27)
InChiKey: IYBVVYDSPJBLTM-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	APH1B gamma secretase subunit	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	gamma secretase subunit aph 1	Get druggable targets OG5_130831	All targets in OG5_130831
Brugia malayi	gamma-secretase subunit aph-1	Get druggable targets OG5_130831	All targets in OG5_130831
Loa Loa (eye worm)	gamma-secretase subunit aph-1	Get druggable targets OG5_130831	All targets in OG5_130831
Schistosoma mansoni	gamma-secretase subunit aph-1	Get druggable targets OG5_130831	All targets in OG5_130831
Echinococcus granulosus	gamma secretase subunit aph 1	Get druggable targets OG5_130831	All targets in OG5_130831
Schistosoma japonicum	ko:K06172 anterior pharynx defective 1, putative	Get druggable targets OG5_130831	All targets in OG5_130831

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
Echinococcus granulosus	lipoxygenase domain containing protein	0.0045	0.0033	0.0033
Trypanosoma cruzi	cysteine peptidase, putative	0.0078	0.0141	0.0179
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0021	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0033	0.0046
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0079	0.0147	0.02
Mycobacterium leprae	Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase)	0.0099	0.0212	0.0124
Mycobacterium leprae	POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE)	0.0099	0.0212	0.0124
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0037	0.0037
Echinococcus multilocularis	RUN	0.0045	0.0033	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0042	0.0061
Mycobacterium tuberculosis	Conserved protein	0.0079	0.0147	0.0211
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0054	0.0064	0.0094
Brugia malayi	beta-lactamase family protein	0.0079	0.0147	0.0226
Mycobacterium tuberculosis	PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0074	0.0128	0.018
Echinococcus multilocularis	lysine specific demethylase 5A	0.0064	0.0096	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0007	0.0004
Schistosoma mansoni	aldehyde dehydrogenase	0.0068	0.0111	0.0106
Mycobacterium tuberculosis	Probable esterase LipL	0.0079	0.0147	0.0211
Echinococcus multilocularis	microsomal glutathione S transferase 3	0.0352	0.105	0.1046
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0053	0.006	0.0089
Trypanosoma cruzi	Aph-1 protein, putative	0.0115	0.0266	0.0387
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0054	0.0064	0.0094
Loa Loa (eye worm)	inositol-1	0.0086	0.0169	0.0262
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0099	0.0212	0.032
Loa Loa (eye worm)	hypothetical protein	0.0261	0.0747	0.1182
Brugia malayi	AMP-binding enzyme family protein	0.1936	0.6288	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0652	0.204	1
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0318	0.0938	0.1371
Schistosoma mansoni	microsomal glutathione s-transferase	0.0352	0.105	0.1046
Echinococcus granulosus	inositol monophosphatase 1	0.0086	0.0169	0.0169
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0078	0.0141	0.4636
Mycobacterium ulcerans	acyl-CoA synthetase	0.0099	0.0212	0.0304
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0318	0.0938	0.1543
Brugia malayi	hypothetical protein	0.0261	0.0747	0.1182
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.1936	0.6288	1
Echinococcus multilocularis	inositol monophosphatase 1	0.0086	0.0169	0.0165
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0652	0.204	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0068	0.0111	0.0143
Schistosoma mansoni	FFA transport protein	0.1862	0.6044	0.6042
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0064	0.0096	0.0092
Trichomonas vaginalis	antibiotic synthetase, putative	0.0099	0.0212	0.089
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0045	0.0033	0.0029
Brugia malayi	hypothetical protein	0.0045	0.0033	0.0046
Trypanosoma brucei	acetyl-CoA synthetase, putative	0.0099	0.0212	0.768
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0037	0.0032
Echinococcus granulosus	histone lysine methyltransferase setb	0.0036	0.0004	0.0004
Trichomonas vaginalis	D-aminoacylase, putative	0.0079	0.0147	0.0565
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0115	0.0265	0.0389
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0037	0.0032
Mycobacterium ulcerans	long-chain-acyl-CoA synthetase	0.1936	0.6288	1
Brugia malayi	jmjC domain containing protein	0.0064	0.0096	0.0146
Trypanosoma cruzi	fatty acid transporter protein-like, putative	0.1862	0.6044	1
Echinococcus multilocularis	microtubule associated protein 2	0.3058	1	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0064	0.0094
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0318	0.0938	0.1462
Schistosoma mansoni	polycystin 1-related	0.0045	0.0033	0.0029
Mycobacterium ulcerans	bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase	0.0099	0.0212	0.0304
Brugia malayi	jmjC domain containing protein	0.0064	0.0096	0.0146
Trypanosoma cruzi	cysteine peptidase, putative	0.0078	0.0141	0.0179
Mycobacterium ulcerans	hypothetical protein	0.0079	0.0147	0.02
Mycobacterium ulcerans	acyl-CoA synthetase	0.0099	0.0212	0.0304
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0021	0.0027
Toxoplasma gondii	MAPEG family protein	0.0352	0.105	1
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0147	0.0226
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0078	0.0141	0.4636
Leishmania major	cathepsin L-like protease	0.0078	0.0141	0.0182
Onchocerca volvulus		0.0288	0.0837	1
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0099	0.0212	0.032
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0652	0.204	1
Schistosoma mansoni	gamma-secretase subunit aph-1	0.0296	0.0863	0.0859
Echinococcus multilocularis	ubiquitin specific protease 41	0.0045	0.0033	0.0029
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0115	0.0265	0.1156
Mycobacterium ulcerans	acyl-CoA synthetase	0.0115	0.0265	0.0389
Schistosoma mansoni	rab6-interacting	0.0045	0.0033	0.0029
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0037	0.0037
Echinococcus granulosus	survival motor neuron protein 1	0.0261	0.0747	0.0747
Mycobacterium tuberculosis	Probable hydrolase	0.0079	0.0147	0.0211
Trypanosoma cruzi	cysteine peptidase, putative	0.0078	0.0141	0.0179
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0652	0.204	1
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0086	0.0169	0.0678
Mycobacterium ulcerans	acyl-CoA synthetase	0.0115	0.0265	0.0389
Schistosoma mansoni	lipoxygenase	0.0121	0.0286	0.0281
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0115	0.0265	0.1156
Brugia malayi	AMP-binding enzyme family protein	0.0115	0.0265	0.0415
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0099	0.0212	0.032
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0099	0.0212	0.032
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0068	0.0111	0.0143
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0068	0.0111	0.0131
Echinococcus granulosus	long chain fatty acid transport protein 4	0.1862	0.6044	0.6044
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0045	0.0033	0.0029
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0041	0.0021	0.5
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0068	0.0111	0.0143
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0115	0.0265	0.0216
Schistosoma mansoni	hypothetical protein	0.0154	0.0394	0.039
Onchocerca volvulus		0.0048	0.0042	0.0457
Plasmodium falciparum	acetyl-CoA synthetase, putative	0.0099	0.0212	1
Mycobacterium ulcerans	O-succinylbenzoic acid--CoA ligase	0.0099	0.0212	0.0304
Schistosoma mansoni	aldehyde dehydrogenase	0.0068	0.0111	0.0106
Echinococcus multilocularis	tumor protein p63	0.0326	0.0964	0.096
Onchocerca volvulus		0.0079	0.0147	0.1708
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0202	0.0554	0.0549
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0078	0.0141	0.4636
Trypanosoma cruzi	cruzipain precursor, putative	0.0078	0.0141	0.0179
Mycobacterium leprae	Probable lipase LipE	0.0079	0.0147	0.0013
Echinococcus multilocularis	long chain fatty acid transport protein 4	0.1862	0.6044	0.6042
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0652	0.204	1
Brugia malayi	beta-lactamase family protein	0.0079	0.0147	0.0226
Onchocerca volvulus		0.0099	0.0212	0.249
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0086	0.0169	0.5
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0212	0.033
Echinococcus granulosus	Polycystic kidney disease protein	0.0045	0.0033	0.0033
Trypanosoma cruzi	Aph-1 protein, putative	0.0115	0.0266	0.0387
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0045	0.0033	0.0029
Echinococcus granulosus	gamma secretase subunit aph 1	0.0296	0.0863	0.0863
Onchocerca volvulus		0.0053	0.006	0.0672
Leishmania major	hypothetical protein, conserved	0.0079	0.0147	0.0191
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0099	0.0212	0.032
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0064	0.0096	0.0092
Brugia malayi	AMP-binding enzyme family protein	0.0099	0.0212	0.033
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0115	0.0265	0.0411
Loa Loa (eye worm)	gamma-secretase subunit aph-1	0.0296	0.0863	0.1366
Mycobacterium ulcerans	acyl-CoA synthetase	0.0099	0.0212	0.0304
Trypanosoma cruzi	hypothetical protein, conserved	0.0079	0.0147	0.0189
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0652	0.204	1
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0099	0.0212	0.033
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0045	0.0033	0.0029
Toxoplasma gondii	propionate-CoA ligase	0.0099	0.0212	0.1983
Mycobacterium ulcerans	peptide synthetase Nrp (peptide synthase)	0.0099	0.0212	0.0304
Loa Loa (eye worm)	jmjC domain-containing protein	0.0064	0.0096	0.0146
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtE	0.0099	0.0212	0.0304
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0265	0.0415
Echinococcus granulosus	ubiquitin specific protease 41	0.0045	0.0033	0.0033
Leishmania major	long-chain-fatty-acid-CoA ligase, putative	0.0099	0.0212	0.0301
Trichomonas vaginalis	D-aminoacylase, putative	0.0079	0.0147	0.0565
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0099	0.0212	0.0297
Schistosoma mansoni	hypothetical protein	0.0045	0.0033	0.0029
Leishmania major	4-coumarate:coa ligase-like protein	0.0115	0.0265	0.0392
Plasmodium vivax	acyl-CoA synthetase, putative	0.0041	0.0021	0.082
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0068	0.0111	0.0111
Schistosoma mansoni	hypothetical protein	0.0053	0.006	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0147	0.0226
Mycobacterium leprae	conserved hypothetical protein	0.0079	0.0147	0.0013
Brugia malayi	AMP-binding enzyme family protein	0.0099	0.0212	0.033
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0506	0.1559	0.259
Mycobacterium ulcerans	acyl-CoA synthetase	0.0115	0.0265	0.0389
Toxoplasma gondii	ABC1 family protein	0.0079	0.0147	0.136
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0115	0.0265	0.0389
Echinococcus multilocularis	geminin	0.0154	0.0394	0.039
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0099	0.0212	0.032
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0086	0.0169	0.0678
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0099	0.0212	0.0297
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0045	0.0033	0.0033
Loa Loa (eye worm)	oxidoreductase	0.0099	0.0212	0.033
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0147	0.0226
Mycobacterium ulcerans	acyl-CoA synthetase	0.0099	0.0212	0.0304
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0077	0.0139	0.0198
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0115	0.0265	0.0389
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0079	0.0147	0.0211
Trichomonas vaginalis	penicillin-binding protein, putative	0.0079	0.0147	0.0565
Echinococcus granulosus	beta LACTamase domain containing family member	0.0079	0.0147	0.0147
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0037	0.0032
Schistosoma mansoni	acetyl-CoA synthetase	0.0099	0.0212	0.0207
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0652	0.204	1
Mycobacterium tuberculosis	Conserved protein	0.0079	0.0147	0.0211
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0202	0.0554	0.0554
Leishmania major	cathepsin L-like protease	0.0078	0.0141	0.0182
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0086	0.0169	0.585
Schistosoma mansoni	inositol monophosphatase	0.0086	0.0169	0.0165
Giardia lamblia	Fructose-bisphosphate aldolase	0.0652	0.204	1
Trypanosoma cruzi	fatty acid transporter protein-like, putative	0.1862	0.6044	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0068	0.0111	0.1018
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0099	0.0212	0.032
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0079	0.0147	0.0142
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0253	0.0721	0.1141
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.0007	0.0004
Leishmania major	acetyl-CoA synthetase, putative	0.0099	0.0212	0.0301
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0037	0.0051
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0652	0.204	1
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0064	0.0096	0.0096
Onchocerca volvulus		0.0099	0.0212	0.249
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0147	0.0226
Onchocerca volvulus		0.0099	0.0212	0.249
Mycobacterium ulcerans	hypothetical protein	0.0115	0.0265	0.0389
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtF	0.0099	0.0212	0.0304
Entamoeba histolytica	acyl-coA synthetase, putative	0.0115	0.0265	0.1156
Mycobacterium ulcerans	esterase/lipase LipP	0.0079	0.0147	0.02
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0045	0.0033	0.0029
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0037	0.0032
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0078	0.0141	0.4636
Schistosoma mansoni	loxhd1	0.0045	0.0033	0.0029
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0099	0.0212	0.033
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0086	0.0169	0.0226
Trichomonas vaginalis	antibiotic synthetase, putative	0.0099	0.0212	0.089
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0045	0.0033	0.0033
Echinococcus granulosus	lipoxygenase domain containing protein	0.0045	0.0033	0.0033
Mycobacterium ulcerans	beta-lactamase	0.0079	0.0147	0.02
Brugia malayi	beta-lactamase	0.0079	0.0147	0.0226
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0099	0.0212	0.032
Onchocerca volvulus		0.0045	0.0033	0.0348
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0079	0.0147	0.0142
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0078	0.0141	0.4636
Trypanosoma brucei	long-chain-fatty-acid-CoA ligase, putative	0.0099	0.0212	0.768
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0099	0.0212	0.032
Brugia malayi	Inositol-1	0.0086	0.0169	0.0262
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0071	0.0119	0.0142
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0265	0.0415
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0115	0.0265	0.0216
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0068	0.0111	0.0106
Loa Loa (eye worm)	doublecortin family protein	0.0045	0.0033	0.0046
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0115	0.0265	0.0389
Trypanosoma cruzi	hypothetical protein, conserved	0.0079	0.0147	0.0189
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0033	0.0046
Trichomonas vaginalis	set domain proteins, putative	0.0288	0.0837	0.4004
Schistosoma mansoni	hypothetical protein	0.0037	0.0007	0.0003
Leishmania major	4-coumarate:coa ligase-like protein	0.0115	0.0265	0.0392
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0099	0.0212	0.033
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0078	0.0141	0.4636
Mycobacterium ulcerans	acyl-CoA synthetase	0.0099	0.0212	0.0304
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0652	0.204	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0021	0.0027
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0078	0.0141	0.4636
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0037	0.0032
Trichomonas vaginalis	inositol monophosphatase, putative	0.0086	0.0169	0.0678
Schistosoma mansoni	microtubule-associated protein tau	0.3058	1	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0061	0.0086	0.0088
Echinococcus multilocularis	survival motor neuron protein 1	0.0261	0.0747	0.0743
Brugia malayi	AMP-binding enzyme family protein	0.0115	0.0265	0.0415
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0652	0.204	1
Echinococcus multilocularis	Polycystic kidney disease protein	0.0045	0.0033	0.0029
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0078	0.0141	0.4636
Trichomonas vaginalis	D-aminoacylase, putative	0.0079	0.0147	0.0565
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0115	0.0265	0.0411
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0021	0.0027
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0045	0.0033	0.0046
Onchocerca volvulus		0.0079	0.0147	0.1708
Onchocerca volvulus		0.0045	0.0033	0.0348
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0086	0.0169	0.023
Mycobacterium leprae	POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0099	0.0212	0.0124
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0099	0.0212	0.0297
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0079	0.0147	0.0226
Brugia malayi	Pre-SET motif family protein	0.0253	0.0721	0.1141
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0079	0.0147	0.0142
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0086	0.0169	0.0678
Leishmania major	4-coumarate:coa ligase-like protein	0.0115	0.0265	0.0392
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0078	0.0141	0.4636
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0078	0.0141	0.4636
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0099	0.0212	0.032
Mycobacterium ulcerans	acyl-CoA synthetase	0.0099	0.0212	0.0304
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0037	0.0051
Mycobacterium ulcerans	phenyloxazoline synthase MbtB	0.0099	0.0212	0.0304
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0078	0.0141	0.4636
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0086	0.0169	0.0236
Plasmodium vivax	acetyl-CoA synthetase, putative	0.0099	0.0212	1
Trypanosoma brucei	Aph-1 protein, putative	0.0115	0.0266	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0079	0.0147	0.0226
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0265	0.0415
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0064	0.0096	0.0092
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0099	0.0212	0.0304
Leishmania major	cathepsin L-like protease	0.0078	0.0141	0.0182
Toxoplasma gondii	Acetyl-coenzyme A synthetase 2, putative	0.0099	0.0212	0.1983
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.0042	0.0038
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0147	0.0226
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0086	0.0169	0.1576
Echinococcus granulosus	RUN	0.0045	0.0033	0.0033
Mycobacterium tuberculosis	Probable lipase LipD	0.0079	0.0147	0.0211
Echinococcus granulosus	microsomal glutathione S transferase 3	0.0352	0.105	0.105
Plasmodium vivax	hypothetical protein, conserved	0.0079	0.0147	0.6858
Mycobacterium ulcerans	acyl-CoA synthetase	0.0099	0.0212	0.0304
Schistosoma mansoni	lipoxygenase	0.0202	0.0554	0.0549
Mycobacterium ulcerans	acyl-CoA synthetase	0.0099	0.0212	0.0304
Brugia malayi	AMP-binding enzyme family protein	0.0115	0.0265	0.0415
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0147	0.0226
Echinococcus granulosus	lysine specific demethylase 5A	0.0064	0.0096	0.0096
Schistosoma mansoni	hypothetical protein	0.0154	0.0394	0.039
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0054	0.0064	0.0094
Onchocerca volvulus		0.0115	0.0265	0.3133
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.1837	0.596	1
Loa Loa (eye worm)	beta-lactamase	0.0079	0.0147	0.0226
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0079	0.0147	0.0211
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0099	0.0212	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0021	0.0027
Plasmodium falciparum	LCCL domain-containing protein	0.0045	0.0033	0.0626
Schistosoma mansoni	membrane associated proteins in eicosanoid and glutathione metabolism family member	0.1537	0.4969	0.4967
Onchocerca volvulus		0.0099	0.0212	0.249
Treponema pallidum	fructose-bisphosphate aldolase	0.0652	0.204	0.5
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0099	0.0212	0.0207
Echinococcus granulosus	tumor protein p63	0.0326	0.0964	0.0964
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0045	0.0033	0.0029
Brugia malayi	Doublecortin family protein	0.0045	0.0033	0.0046
Echinococcus granulosus	geminin	0.0154	0.0394	0.0394
Mycobacterium tuberculosis	Probable lipase LipE	0.0079	0.0147	0.0211
Trichomonas vaginalis	penicillin-binding protein, putative	0.0079	0.0147	0.0565
Trichomonas vaginalis	esterase, putative	0.0079	0.0147	0.0565
Schistosoma mansoni	jumonji domain containing protein	0.0064	0.0096	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0033	0.0046
Trypanosoma brucei	hypothetical protein, conserved	0.0079	0.0147	0.488
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0212	0.033
Brugia malayi	hypothetical protein	0.0045	0.0033	0.0046
Schistosoma mansoni	inositol monophosphatase	0.0086	0.0169	0.0165
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0099	0.0212	0.1983
Brugia malayi	AMP-binding enzyme family protein	0.0099	0.0212	0.033
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0099	0.0212	0.089
Brugia malayi	gamma-secretase subunit aph-1	0.0296	0.0863	0.1366
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0068	0.0111	0.015
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0086	0.0169	0.0226
Leishmania major	fatty acid transporter protein-like protein	0.1837	0.596	1
Leishmania major	acetyl-CoA synthetase, putative	0.0099	0.0212	0.0301
Schistosoma mansoni	survival motor neuron protein	0.0053	0.006	0.0056
Mycobacterium ulcerans	lipase LipD	0.0079	0.0147	0.02
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0099	0.0212	0.032
Echinococcus multilocularis	gamma secretase subunit aph 1	0.0296	0.0863	0.0859
Mycobacterium tuberculosis	Conserved protein	0.0079	0.0147	0.0211
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0099	0.0212	0.0297
Mycobacterium leprae	possible long-chain acyl-CoA synthase	0.1837	0.596	1
Schistosoma mansoni	rab6-interacting	0.0045	0.0033	0.0029
Onchocerca volvulus		0.0079	0.0147	0.1708
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0079	0.0147	0.0211
Plasmodium vivax	multidomain scavenger receptor, putative	0.0045	0.0033	0.1395
Mycobacterium ulcerans	acetyl-CoA synthetase	0.0099	0.0212	0.0304

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 6.2	Inhibition of gamma-secretase in human SHSY5Y cells expressing Swedish variant of APP K595N/M596L assessed as reduction of amyloid beta 40 formation after 16 hrs by ELISA	ChEMBL.	21636276
IC50 (binding)	= 6.5	Inhibition of gamma-secretase in human SHSY5Y cells expressing Swedish variant of APP K595N/M596L assessed as reduction of amyloid beta 42 formation after 16 hrs by ELISA	ChEMBL.	21636276

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: CHEMBL1797094

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1023970