TDR Targets

Basic information

Technical information

TDR Targets ID: 1799005
Name: (Z)-4-[(1R,2R,8aS)-2-hydroxy-2,5,5,8a-tetrame thyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-y l]but-3-en-2-one
MW: 278.43 | Formula: C18H30O2
H donors: 1 H acceptors: 2 LogP: 4.01 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)/C=C\[C@H]1[C@](C)(O)CCC2[C@]1(C)CCCC2(C)C
InChi: 1S/C18H30O2/c1-13(19)7-8-15-17(4)11-6-10-16(2,3)14(17)9-12-18(15,5)20/h7-8,14-15,20H,6,9-12H2,1-5H3/b8-7-/t14?,15-,17+,18-/m1/s1
InChiKey: SNUHZNCSBAQVJV-DPGSLPGRSA-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

(Z)-4-[(1R,2R,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl]but-3-en-2-one
(Z)-4-[(1R,2R,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-1-decalinyl]but-3-en-2-one
Spectrum5_001614
SDCCGMLS-0066873.P001
SPECTRUM300060
BSPBio_002855

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Schistosoma mansoni	hypothetical protein	0.0064	0.0223	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0031	0.0065
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.004	0.0201
Mycobacterium ulcerans	pyruvate kinase	0.0033	0.0097	0.0353
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0019	0.0035	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0201	0.0795	0.2127
Toxoplasma gondii	ATPase, AAA family protein	0.002	0.004	0.2577
Schistosoma mansoni	hypothetical protein	0.008	0.0292	0.0735
Plasmodium vivax	pyruvate kinase 2, putative	0.0017	0.0029	0.177
Echinococcus multilocularis	6 phosphofructo 2 kinase:fructose 2	0.0901	0.3711	0.3698
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0064	0.0223	0.0546
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.002	0.004	0.0201
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0015	0.0021	0.1131
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.011	0.0242
Brugia malayi	hypothetical protein	0.0035	0.0105	0.1286
Onchocerca volvulus		0.002	0.004	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0055	0.013
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0144	0.0556	0.0535
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0035	0.2251
Trypanosoma cruzi	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.002	0.004	0.005
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0035	0.0155
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0056	0.016
Echinococcus granulosus	pyruvate kinase	0.0033	0.0097	0.0206
Loa Loa (eye worm)	hypothetical protein	0.002	0.004	0.0088
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0031	0.1277
Leishmania major	hypothetical protein, conserved	0.0037	0.011	0.0242
Trypanosoma cruzi	hypothetical protein, conserved	0.002	0.004	0.005
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0035	0.0038
Loa Loa (eye worm)	hypothetical protein	0.0886	0.3648	0.9829
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0081	0.006
Loa Loa (eye worm)	hypothetical protein	0.0037	0.011	0.028
Entamoeba histolytica	hypothetical protein	0.0035	0.0105	0.0389
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.011	0.1354
Loa Loa (eye worm)	hypothetical protein	0.0037	0.011	0.028
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0015	0.0021	0.1131
Onchocerca volvulus	Pyruvate kinase homolog	0.0033	0.0097	0.0244
Echinococcus granulosus	pyruvate kinase	0.0017	0.0029	0.0022
Chlamydia trachomatis	pyruvate kinase	0.0033	0.0097	1
Onchocerca volvulus		0.0037	0.011	0.028
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0031	0.1896
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.0035	0.0038
Brugia malayi	Patched family protein	0.0012	0.0007	0.0085
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0076	0.015
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0056	0.0093
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.0097	0.0244
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0015	0.0021	0.1131
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0033	0.0097	0.0206
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.004	0.0201
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0201	0.0795	0.9739
Loa Loa (eye worm)	hypothetical protein	0.002	0.004	0.0088
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.011	0.0977
Echinococcus granulosus	expressed conserved protein	0.0182	0.0717	0.1886
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.004	0.0201
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0056	0.3855
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0105	0.0227
Schistosoma mansoni	hypothetical protein	0.008	0.0292	0.0735
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0037	0.011	0.0979
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0056	0.0682
Loa Loa (eye worm)	hypothetical protein	0.0137	0.053	0.1412
Trichomonas vaginalis	pyruvate kinase, putative	0.0033	0.0097	0.0831
Brugia malayi	Patched family protein	0.0012	0.0007	0.0085
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0901	0.3711	1
Loa Loa (eye worm)	hypothetical protein	0.0901	0.3711	1
Brugia malayi	Patched family protein	0.0012	0.0007	0.0085
Trypanosoma cruzi	hypothetical protein, conserved	0.002	0.004	0.005
Brugia malayi	protein C24B5.3	0.0012	0.0007	0.0085
Toxoplasma gondii	phosphoglycerate mutase PGMII	0.0015	0.0021	0.1131
Echinococcus granulosus	Niemann Pick C1 protein	0.0194	0.0766	0.2019
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0197	0.0779	0.2053
Toxoplasma gondii	pyruvate kinase PyK1	0.0033	0.0097	0.7117
Mycobacterium leprae	Probable lipase LipE	0.0037	0.011	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0056	0.016
Schistosoma mansoni	hypothetical protein	0.008	0.0292	0.0735
Mycobacterium tuberculosis	Conserved protein	0.0037	0.011	0.0979
Echinococcus multilocularis	pyruvate kinase	0.0033	0.0097	0.0076
Brugia malayi	Patched family protein	0.0012	0.0007	0.0085
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0081	0.0162
Leishmania major	pyruvate kinase	0.0033	0.0097	0.0206
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0031	0.0065
Entamoeba histolytica	hypothetical protein	0.0035	0.0105	0.0389
Echinococcus multilocularis	pyruvate kinase	0.0026	0.0068	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0097	0.0244
Echinococcus granulosus	GPCR family 2	0.0064	0.0223	0.0546
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0031	0.2143
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0042	0.0134	1
Plasmodium falciparum	phosphoglycerate mutase, putative	0.0015	0.0021	0.1279
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.011	0.0242
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0042	0.0134	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.011	0.0977
Onchocerca volvulus		0.0037	0.011	0.028
Loa Loa (eye worm)	acetyltransferase	0.0144	0.0556	0.1481
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0018	0.0031	0.0045
Brugia malayi	MH2 domain containing protein	0.0122	0.0464	0.5684
Plasmodium falciparum	phosphoglucomutase-2	0.0015	0.0021	0.1279
Brugia malayi	hypothetical protein	0.0012	0.0007	0.0085
Entamoeba histolytica	hypothetical protein	0.002	0.004	0.0085
Schistosoma mansoni	ap endonuclease	0.0019	0.0035	0.0038
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0037	0.011	0.0979
Onchocerca volvulus		0.0015	0.0021	0.0039
Plasmodium falciparum	replication factor C subunit 1, putative	0.002	0.004	0.2913
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0201	0.0795	0.2127
Giardia lamblia	Replication factor C, subunit 1	0.002	0.004	0.0048
Giardia lamblia	Hypothetical protein	0.0532	0.2173	1
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0029	0.0008
Brugia malayi	Niemann-Pick C1 protein precursor	0.0194	0.0766	0.939
Echinococcus multilocularis	GPCR, family 2	0.0064	0.0223	0.0202
Echinococcus granulosus	replication factor c subunit 1	0.002	0.004	0.005
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.0056	0.016
Loa Loa (eye worm)	hypothetical protein	0.0037	0.011	0.028
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0139	0.0539	0.1403
Mycobacterium tuberculosis	Conserved protein	0.0037	0.011	0.0979
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.011	0.0415
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0081	0.0162
Loa Loa (eye worm)	hypothetical protein	0.003	0.0081	0.02
Schistosoma mansoni	ap endonuclease	0.0019	0.0035	0.0038
Echinococcus multilocularis	protein dispatched 1	0.0095	0.0354	0.0333
Trypanosoma brucei	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.002	0.004	0.005
Trichomonas vaginalis	pyruvate kinase, putative	0.0033	0.0097	0.0831
Brugia malayi	Latrophilin receptor protein 2	0.0064	0.0223	0.2729
Onchocerca volvulus	Protein UBASH3A homolog	0.0015	0.0021	0.0039
Brugia malayi	Pre-SET motif family protein	0.0206	0.0816	1
Toxoplasma gondii	ABC1 family protein	0.0037	0.011	0.8173
Brugia malayi	beta-lactamase family protein	0.0037	0.011	0.1354
Giardia lamblia	Histone acetyltransferase GCN5	0.0039	0.0119	0.0418
Mycobacterium ulcerans	NAD-dependent DNA ligase LigA	0.002	0.004	0.0085
Brugia malayi	hypothetical protein	0.002	0.004	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0031	0.0065
Brugia malayi	hypothetical protein	0.002	0.004	0.0485
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0019	0.0035	0.0066
Brugia malayi	Pax transcription activation domain interacting protein	0.002	0.004	0.0485
Schistosoma mansoni	hypothetical protein	0.0035	0.0105	0.0227
Mycobacterium tuberculosis	Probable esterase LipL	0.0037	0.011	0.0979
Schistosoma mansoni	pyruvate kinase	0.0017	0.0029	0.0022
Echinococcus multilocularis	nibrin	0.002	0.004	0.0018
Trichomonas vaginalis	replication factor C large subunit, putative	0.002	0.004	0.0201
Trypanosoma brucei	pyruvate kinase 1	0.0033	0.0097	0.0206
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.011	0.0242
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0056	0.0377
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0033	0.0097	0.85
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0064	0.0223	0.0202
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.0081	0.006
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.002	0.004	0.0201
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.004	0.0201
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0194	0.0766	0.3463
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.002	0.004	0.0201
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0033	0.0097	0.0832
Entamoeba histolytica	hypothetical protein	0.0035	0.0105	0.0389
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0037	0.011	0.0979
Plasmodium vivax	phosphoglucomutase-2, putative	0.0015	0.0021	0.1131
Toxoplasma gondii	exonuclease III APE	0.0019	0.0035	0.2251
Leishmania major	pyruvate kinase	0.0033	0.0097	0.0206
Onchocerca volvulus	Pyruvate kinase homolog	0.0033	0.0097	0.0244
Echinococcus multilocularis	expressed conserved protein	0.0182	0.0717	0.0698
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.011	0.0242
Echinococcus granulosus	pyruvate kinase	0.0017	0.0029	0.0022
Brugia malayi	Patched related family protein 10	0.0012	0.0007	0.0085
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0056	0.0093
Brugia malayi	protein C24B5.3	0.0012	0.0007	0.0085
Schistosoma mansoni	patched 1	0.0083	0.0305	0.0769
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0056	0.016
Mycobacterium leprae	PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+])	0.002	0.004	0.2053
Entamoeba histolytica	hypothetical protein	0.0035	0.0105	0.0389
Brugia malayi	Myosin head containing protein	0.0012	0.0007	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0383	0.1015
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.011	0.0242
Loa Loa (eye worm)	beta-lactamase	0.0037	0.011	0.028
Loa Loa (eye worm)	hypothetical protein	0.0037	0.011	0.028
Echinococcus granulosus	Protein patched homolog 1	0.0083	0.0305	0.0769
Mycobacterium ulcerans	hypothetical protein	0.0532	0.2173	1
Brugia malayi	Patched family protein	0.0012	0.0007	0.0085
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.0081	0.5845
Brugia malayi	hypothetical protein	0.0012	0.0007	0.0085
Echinococcus granulosus	tumor protein p63	0.0335	0.1351	0.3604
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0035	0.7747
Brugia malayi	ATP dependent DNA ligase C terminal region family protein	0.002	0.004	0.0485
Onchocerca volvulus		0.0049	0.0162	0.0418
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0035	0.2545
Plasmodium vivax	SET domain protein, putative	0.003	0.0081	0.5845
Brugia malayi	acetyltransferase, GNAT family protein	0.0144	0.0556	0.6807
Onchocerca volvulus		0.0235	0.0935	0.2505
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.011	0.0977
Brugia malayi	phosphoglycerate mutase family protein	0.0015	0.0021	0.026
Echinococcus multilocularis	Niemann Pick C1 protein	0.0277	0.1113	0.1094
Schistosoma mansoni	topbp1	0.002	0.004	0.005
Chlamydia trachomatis	DNA ligase	0.002	0.004	0.2415
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0021	0.0039
Giardia lamblia	Pyruvate kinase	0.0033	0.0097	0.0316
Toxoplasma gondii	phosphoglycerate mutase	0.0015	0.0021	0.1131
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0144	0.0556	0.1448
Onchocerca volvulus		0.0023	0.0056	0.0132
Echinococcus multilocularis	protein patched	0.0083	0.0305	0.0284
Brugia malayi	hypothetical protein	0.0012	0.0007	0.0085
Schistosoma mansoni	hypothetical protein	0.0064	0.0223	0.0546
Brugia malayi	Pre-SET motif family protein	0.003	0.0081	0.0992
Brugia malayi	latrophilin 2 splice variant baaae	0.0137	0.053	0.6495
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.011	0.0977
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0081	0.0162
Onchocerca volvulus		0.0037	0.011	0.028
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0056	0.0377
Brugia malayi	DKFZp564C0469 protein	0.002	0.004	0.0485
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.004	0.0201
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0901	0.3711	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0277	0.1113	0.2959
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0901	0.3711	1
Schistosoma mansoni	DNA ligase IV	0.002	0.004	0.005
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0027	0.0063
Trypanosoma brucei	pyruvate kinase 1, putative	0.0033	0.0097	0.0206
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.011	0.028
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0056	0.016
Loa Loa (eye worm)	hypothetical protein	0.0517	0.211	0.5676
Brugia malayi	Patched related family protein 12	0.0012	0.0007	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0021	0.0039
Schistosoma mansoni	hypothetical protein	0.0137	0.053	0.1379
Brugia malayi	phosphoglycerate mutase family protein	0.0015	0.0021	0.026
Echinococcus granulosus	sterol regulatory element binding protein	0.0083	0.0305	0.0769
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.002	0.004	0.0201
Echinococcus multilocularis	tumor protein p63	0.0335	0.1351	0.1333
Plasmodium falciparum	histone acetyltransferase GCN5	0.0039	0.0119	1
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0.0035	0.0156
Schistosoma mansoni	hypothetical protein	0.0064	0.0223	0.0546
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.0097	0.0244
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0056	0.0682
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0033	0.0097	0.119
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0105	0.0084
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0056	0.016
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0206	0.0816	0.2185
Loa Loa (eye worm)	phosphoglycerate mutase	0.0015	0.0021	0.0039
Echinococcus granulosus	6 phosphofructo 2 kinase:fructose 2	0.0901	0.3711	1
Brugia malayi	Patched protein homolog 1	0.0012	0.0007	0.0085
Plasmodium vivax	replication factor C subunit 1, putative	0.002	0.004	0.2577
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0056	0.016
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0035	0.0077
Schistosoma mansoni	chromosome transmission fidelity factor	0.002	0.004	0.005
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0385	0.1559	0.4169
Loa Loa (eye worm)	transcription factor SMAD2	0.0122	0.0464	0.1234
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0234	0.0933	1
Schistosoma mansoni	hypothetical protein	0.0064	0.0223	0.0546
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.0886	0.3648	0.9828
Echinococcus granulosus	pyruvate kinase	0.0017	0.0029	0.0022
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0064	0.0223	0.0583
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0033	0.0097	0.0206
Schistosoma mansoni	topbp1	0.002	0.004	0.005
Onchocerca volvulus		0.0015	0.0021	0.0039
Brugia malayi	Patched family protein	0.0012	0.0007	0.0085
Brugia malayi	Patched family protein	0.0012	0.0007	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0031	0.0065
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0019	0.0035	0.0038
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0021	0.0039
Loa Loa (eye worm)	hypothetical protein	0.0194	0.0766	0.205
Onchocerca volvulus		0.0015	0.0021	0.0039
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.002	0.004	0.2577
Schistosoma mansoni	pyruvate kinase	0.0033	0.0097	0.0206
Mycobacterium ulcerans	lipase LipD	0.0037	0.011	0.0415
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0081	0.0162
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0027	0.0063
Brugia malayi	beta-lactamase family protein	0.0037	0.011	0.1354
Trypanosoma brucei	6-phosphofructo-2-kinase 2	0.0886	0.3648	0.9828
Mycobacterium tuberculosis	Conserved protein	0.0037	0.011	0.0979
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0042	0.0134	0.0305
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0027	0.0063
Mycobacterium tuberculosis	Probable hydrolase	0.0037	0.011	0.0979
Brugia malayi	Patched family protein	0.0012	0.0007	0.0085
Echinococcus multilocularis	sterol regulatory element binding protein	0.0083	0.0305	0.0284
Schistosoma mansoni	6-phosphofructokinase	0.0901	0.3711	1
Echinococcus multilocularis	replication factor c subunit 1	0.002	0.004	0.0018
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0064	0.0223	0.0202
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0064	0.0223	0.2729
Plasmodium vivax	phosphoglycerate mutase, putative	0.0015	0.0021	0.1131
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0042	0.0134	1
Schistosoma mansoni	cellular tumor antigen P53	0.0049	0.0162	0.0381
Brugia malayi	Patched family protein	0.0012	0.0007	0.0085
Onchocerca volvulus		0.0901	0.3711	1
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.0097	0.0244
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0105	0.0227
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0035	0.0434
Mycobacterium ulcerans	beta-lactamase	0.0037	0.011	0.0415
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.002	0.004	0.0085
Brugia malayi	Patched family protein	0.0012	0.0007	0.0085
Toxoplasma gondii	pyruvate kinase PyKII	0.0017	0.0029	0.177
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0056	0.0093
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.0532	0.2173	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0031	0.0065
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0056	0.016
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.011	0.0415
Schistosoma mansoni	hypothetical protein	0.008	0.0292	0.0735
Entamoeba histolytica	acetyltransferase, GNAT family	0.0039	0.0119	0.0454
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0385	0.1559	0.4169
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.002	0.004	1
Trichomonas vaginalis	set domain proteins, putative	0.0235	0.0935	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0031	0.0106
Onchocerca volvulus	Protein UBASH3A homolog	0.0015	0.0021	0.0039
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.011	0.0089
Echinococcus granulosus	nibrin	0.002	0.004	0.005
Mycobacterium ulcerans	fructose-2,6-bisphosphatase GpmB	0.0532	0.2173	1
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0029	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0056	0.0132
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0015	0.0021	0.1131
Mycobacterium tuberculosis	Probable lipase LipD	0.0037	0.011	0.0979
Loa Loa (eye worm)	hypothetical protein	0.002	0.004	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0305	0.0804
Brugia malayi	Patched family protein	0.0012	0.0007	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0021	0.0039
Loa Loa (eye worm)	pyruvate kinase-PB	0.0023	0.0055	0.013
Mycobacterium ulcerans	hypothetical protein	0.0037	0.011	0.0415
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0056	0.3855
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0042	0.0134	0.1231
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0029	0.0008
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0035	0.0038
Plasmodium vivax	pyruvate kinase, putative	0.0033	0.0097	0.7117
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0056	0.0132
Onchocerca volvulus	Protein UBASH3A homolog	0.0015	0.0021	0.0039
Brugia malayi	Patched family protein	0.0012	0.0007	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0056	0.0132
Onchocerca volvulus	Pyruvate kinase homolog	0.0033	0.0097	0.0244
Brugia malayi	Patched family protein	0.0012	0.0007	0.0085
Onchocerca volvulus		0.003	0.0081	0.02
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.0886	0.3648	0.9828
Loa Loa (eye worm)	hypothetical protein	0.0037	0.011	0.028
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0056	0.016
Trichomonas vaginalis	esterase, putative	0.0037	0.011	0.0977
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0042	0.0134	0.1231
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.011	0.0242
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0035	0.0155
Mycobacterium tuberculosis	Probable lipase LipE	0.0037	0.011	0.0979
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.011	0.8173
Loa Loa (eye worm)	MH2 domain-containing protein	0.0122	0.0464	0.1234
Giardia lamblia	Hypothetical protein	0.0532	0.2173	1
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0035	0.0038
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0056	0.016
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0901	0.3711	1
Trypanosoma cruzi	FHA domain containing protein, putative	0.002	0.004	0.005
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0035	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0162	0.0418
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.011	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0223	0.0583
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0886	0.3648	0.9828
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0083	0.0305	0.0804
Echinococcus multilocularis	Niemann Pick C1 protein	0.0194	0.0766	0.0747
Treponema pallidum	DNA ligase (lig)	0.002	0.004	1
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein	0.0385	0.1559	0.4169
Plasmodium falciparum	pyruvate kinase	0.0033	0.0097	0.8047
Loa Loa (eye worm)	hypothetical protein	0.0037	0.011	0.028
Brugia malayi	UBASH3A protein homolog	0.0015	0.0021	0.026
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.011	0.0977
Brugia malayi	beta-lactamase	0.0037	0.011	0.1354
Brugia malayi	topoisomerase	0.002	0.004	0.0485
Plasmodium falciparum	pyruvate kinase 2	0.0017	0.0029	0.2001
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0056	0.0682
Loa Loa (eye worm)	hypothetical protein	0.002	0.004	0.0088
Brugia malayi	hypothetical protein	0.0012	0.0007	0.0085
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0.0035	0.0028
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0064	0.0223	0.0546
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0385	0.1559	0.4169
Brugia malayi	Patched family protein	0.0012	0.0007	0.0085
Entamoeba histolytica	pyruvate kinase, putative	0.0023	0.0055	0.0157
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0033	0.0097	0.119
Schistosoma mansoni	pyruvate kinase	0.0033	0.0097	0.0206
Brugia malayi	Patched family protein	0.0012	0.0007	0.0085
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0056	0.016
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0027	0.0063
Trichomonas vaginalis	conserved hypothetical protein	0.0083	0.0305	0.3105
Brugia malayi	Patched related family protein 4	0.0012	0.0007	0.0085
Loa Loa (eye worm)	hypothetical protein	0.002	0.004	0.0088
Loa Loa (eye worm)	hypothetical protein	0.002	0.004	0.0088
Onchocerca volvulus	Protein UBASH3A homolog	0.0015	0.0021	0.0039
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0201	0.0795	0.9739
Echinococcus multilocularis	pyruvate kinase	0.0033	0.0097	0.0076
Brugia malayi	CHE-14 protein	0.0083	0.0305	0.3735
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.003	0.0081	0.0162
Echinococcus granulosus	pyruvate kinase	0.0033	0.0097	0.0206

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (ADMET)	= 71.14320787 %	Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	ChEMBL.	23571415
Inhibition (ADMET)	= 84.33412888 %	Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	ChEMBL.	23571415

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: CHEMBL3039484

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1799005