TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 383.499 | Formula: C24H30FNO2
H donors: 1 H acceptors: 1 LogP: 4.31 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O[C@@H]1C[C@H](CC[C@H]1N1CCC(CC1)c1ccccc1)OCc1ccc(cc1)F
InChi: 1S/C24H30FNO2/c25-21-8-6-18(7-9-21)17-28-22-10-11-23(24(27)16-22)26-14-12-20(13-15-26)19-4-2-1-3-5-19/h1-9,20,22-24,27H,10-17H2/t22-,23+,24+/m0/s1
InChiKey: WCHFHKCWWZOPBX-RBZQAINGSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Vesicular acetylcholine transporter	Starlite/ChEMBL	References
Rattus norvegicus	Sigma opioid receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania major	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma congolense	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Echinococcus granulosus	vesicular acetylcholine transporter	Get druggable targets OG5_133283	All targets in OG5_133283
Trypanosoma congolense	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania infantum	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Brugia malayi	ERG2 and Sigma1 receptor like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Schistosoma japonicum	ko:K08155 MFS transporter, DHA1 family, solute carrier family 18 (vesicular, putative	Get druggable targets OG5_133283	All targets in OG5_133283
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma brucei gambiense	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Candida albicans	sterol C8-C7 isomerase	Get druggable targets OG5_131051	All targets in OG5_131051
Brugia malayi	vesicular acetylcholine transporter unc-17	Get druggable targets OG5_133283	All targets in OG5_133283
Echinococcus multilocularis	vesicular acetylcholine transporter	Get druggable targets OG5_133283	All targets in OG5_133283
Leishmania braziliensis	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma brucei	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Schistosoma mansoni	vesicular acetylcholine transporter	Get druggable targets OG5_133283	All targets in OG5_133283
Loa Loa (eye worm)	vesicular acetylcholine transporter unc-17	Get druggable targets OG5_133283	All targets in OG5_133283
Leishmania donovani	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania mexicana	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma cruzi	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131051	All targets in OG5_131051
Onchocerca volvulus	Vesicular acetylcholine transporter homolog	Get druggable targets OG5_133283	All targets in OG5_133283
Candida albicans	sterol C8-C7 isomerase	Get druggable targets OG5_131051	All targets in OG5_131051

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	abnormal catecholamine distribution protein 1	Vesicular acetylcholine transporter	530 aa	507 aa	34.7 %
Brugia malayi	Abnormal catecholamine distribution protein 1	Vesicular acetylcholine transporter	530 aa	504 aa	33.7 %
Echinococcus multilocularis	synaptic vesicular amine transporter	Vesicular acetylcholine transporter	530 aa	479 aa	37.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	cysteine protease, putative	0.002	0.0068	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0187	0.0342
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0106	0.0385
Brugia malayi	Cathepsin L-like precursor	0.0039	0.0187	0.0342
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0039	0.0187	0.088
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0119	0.0679	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0099	0.0557	0.0557
Entamoeba histolytica	hypothetical protein	0.0037	0.0173	0.3851
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0032	0.0139	0.2039
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.0889	0.5469	1
Toxoplasma gondii	cathepsin CPL	0.0039	0.0187	0.3055
Onchocerca volvulus		0.0039	0.0187	0.0256
Leishmania major	cathepsin L-like protease	0.0039	0.0187	0.0264
Leishmania major	cathepsin L-like protease	0.015	0.0872	0.1528
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0039	0.0187	0.088
Mycobacterium ulcerans	esterase/lipase LipP	0.0073	0.0393	0.7456
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0043	0.0037
Echinococcus multilocularis	geminin	0.0174	0.1027	0.1027
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.015	0.0872	0.1528
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0249	0.0455
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.004	0.004
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.004	0.0073
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0092	0.0513	1
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0393	0.0719
Brugia malayi	Cathepsin L-like precursor	0.0039	0.0187	0.0342
Entamoeba histolytica	hypothetical protein	0.0037	0.0173	0.3851
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0106	0.0194
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0026	0.0106	0.0194
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0126	0.0189
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0092	0.0513	0.6912
Echinococcus granulosus	cpg binding protein	0.003	0.0129	0.0129
Brugia malayi	Probable ClpP-like protease	0.0092	0.0513	0.0937
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0016	0.0043	0.0043
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0073	0.0393	0.1259
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0043	0.0037
Plasmodium vivax	vivapain-2	0.0039	0.0187	0.3339
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0039	0.0187	0.3055
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0064	0.034	0.034
Schistosoma mansoni	cathepsin F (C01 family)	0.0026	0.0106	0.0106
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0013	0.0025	0.0025
Trypanosoma cruzi	cysteine peptidase, putative	0.002	0.0068	0.0083
Brugia malayi	Papain family cysteine protease containing protein	0.0039	0.0187	0.0342
Brugia malayi	hypothetical protein	0.0019	0.0061	0.0112
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0173	0.0173
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0889	0.5469	1
Brugia malayi	Cathepsin L-like precursor	0.0039	0.0187	0.0342
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0005	0.0005
Onchocerca volvulus	Cathepsin F homolog	0.0039	0.0187	0.0256
Brugia malayi	beta-lactamase family protein	0.0073	0.0393	0.0719
Leishmania major	cathepsin L-like protease	0.015	0.0872	0.1528
Leishmania major	trypanothione reductase	0.0047	0.0233	0.035
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0099	0.0557	0.0557
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0073	0.0393	0.1259
Echinococcus multilocularis	cpg binding protein	0.003	0.0129	0.0129
Brugia malayi	glutathione reductase	0.0047	0.0233	0.0427
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0023	0.0043
Mycobacterium tuberculosis	Probable esterase LipL	0.0073	0.0393	0.1259
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0039	0.0187	0.088
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0092	0.0513	1
Brugia malayi	Papain family cysteine protease containing protein	0.002	0.0068	0.0125
Echinococcus granulosus	beta LACTamase domain containing family member	0.0073	0.0393	0.0393
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0092	0.0513	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0073	0.0393	0.2147
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0106	0.0194
Brugia malayi	MH2 domain containing protein	0.0135	0.0783	0.1432
Entamoeba histolytica	hypothetical protein	0.0037	0.0173	0.3851
Echinococcus multilocularis	peptidase Clp (S14 family)	0.006	0.0316	0.0316
Mycobacterium tuberculosis	Probable hydrolase	0.0073	0.0393	0.1259
Loa Loa (eye worm)	ctsf protein	0.0039	0.0187	0.0342
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.004	0.004
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0064	0.034	0.034
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0245	0.1463	0.2675
Mycobacterium tuberculosis	Probable lipase LipD	0.0073	0.0393	0.1259
Echinococcus multilocularis	cathepsin L cysteine protease	0.0039	0.0187	0.0187
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0039	0.0187	0.088
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0092	0.0513	0.0513
Mycobacterium ulcerans	beta-lactamase	0.0073	0.0393	0.7456
Plasmodium vivax	vivapain-3	0.002	0.0068	0.0921
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0092	0.0513	1
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0092	0.0513	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.0047	0.0233	0.0233
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0039	0.0187	0.0187
Echinococcus multilocularis	cathepsin L	0.002	0.0068	0.0068
Trypanosoma cruzi	hypothetical protein, conserved	0.0073	0.0393	0.0679
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0036	0.0164	0.0164
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0099	0.0557	0.0557
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0016	0.0043	0.0037
Schistosoma mansoni	cathepsin F (C01 family)	0.0039	0.0187	0.0187
Toxoplasma gondii	hypothetical protein	0.0032	0.0139	0.2039
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0039	0.0187	0.088
Onchocerca volvulus		0.0073	0.0393	0.091
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0119	0.0679	0.229
Trichomonas vaginalis	penicillin-binding protein, putative	0.0073	0.0393	0.2147
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0092	0.0513	1
Loa Loa (eye worm)	cysteine protease	0.0039	0.0187	0.0342
Onchocerca volvulus		0.0039	0.0187	0.0256
Onchocerca volvulus		0.0039	0.0187	0.0256
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0039	0.0187	0.088
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.034	0.0581
Loa Loa (eye worm)	hypothetical protein	0.0455	0.2767	0.506
Echinococcus multilocularis	cysteine protease	0.0039	0.0187	0.0187
Echinococcus granulosus	cathepsin L cysteine protease	0.002	0.0068	0.0068
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0039	0.0187	0.088
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0043	0.0037
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0099	0.0557	0.0557
Onchocerca volvulus		0.0039	0.0187	0.0256
Loa Loa (eye worm)	beta-lactamase	0.0073	0.0393	0.0719
Schistosoma mansoni	hypothetical protein	0.0174	0.1027	0.1027
Brugia malayi	Papain family cysteine protease containing protein	0.002	0.0068	0.0125
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0039	0.0187	0.088
Trypanosoma cruzi	trypanothione reductase, putative	0.0047	0.0233	0.0385
Trypanosoma brucei	hypothetical protein, conserved	0.0073	0.0393	0.0645
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0393	0.0719
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.015	0.0872	0.1528
Echinococcus multilocularis	vesicular acetylcholine transporter	0.0534	0.3261	0.3261
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.015	0.0872	0.1528
Leishmania major	C-8 sterol isomerase-like protein	0.0889	0.5469	1
Brugia malayi	Cathepsin L-like precursor	0.0013	0.0023	0.0043
Plasmodium vivax	glutathione reductase, putative	0.0047	0.0233	0.429
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0043	0.0037
Brugia malayi	hypothetical protein	0.0037	0.0173	0.0316
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0039	0.0187	0.0187
Leishmania major	cathepsin L-like protease	0.0039	0.0187	0.0264
Mycobacterium tuberculosis	Probable oxidoreductase	0.0119	0.0679	0.229
Mycobacterium ulcerans	hypothetical protein	0.0073	0.0393	0.7456
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0393	0.0719
Leishmania major	cathepsin L-like protease	0.015	0.0872	0.1528
Schistosoma mansoni	hypothetical protein	0.0016	0.004	0.004
Mycobacterium tuberculosis	Conserved protein	0.0073	0.0393	0.1259
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0043	0.0037
Plasmodium vivax	vivapain-1	0.002	0.0068	0.0921
Schistosoma mansoni	hypothetical protein	0.0013	0.0025	0.0025
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0099	0.0557	0.1019
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.015	0.0872	0.1528
Trypanosoma cruzi	trypanothione reductase, putative	0.0016	0.0043	0.0037
Onchocerca volvulus		0.0028	0.0119	0.0042
Loa Loa (eye worm)	thioredoxin reductase	0.0047	0.0233	0.0427
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0126	0.0189
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0092	0.0513	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0126	0.1769
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0068	0.0154
Toxoplasma gondii	thioredoxin reductase	0.0047	0.0233	0.4047
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0119	0.0218
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.002	0.0068	0.0046
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0119	0.0679	0.229
Trichomonas vaginalis	esterase, putative	0.0073	0.0393	0.2147
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0034	0.0152	0.0152
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0016	0.0043	0.0043
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0016	0.0043	0.0037
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0073	0.0393	0.0393
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0073	0.0393	0.0393
Mycobacterium tuberculosis	Probable dehydrogenase	0.0107	0.0606	0.2024
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0039	0.0187	0.088
Trypanosoma brucei	trypanothione reductase	0.0047	0.0233	0.035
Schistosoma mansoni	hypothetical protein	0.0016	0.004	0.004
Echinococcus multilocularis	cysteine protease	0.0039	0.0187	0.0187
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0064	0.034	0.0621
Mycobacterium ulcerans	lipase LipD	0.0073	0.0393	0.7456
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0039	0.0187	0.088
Brugia malayi	Thioredoxin reductase	0.0047	0.0233	0.0427
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0099	0.0557	0.0557
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0016	0.0043	0.0079
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.015	0.0872	0.1528
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0064	0.034	0.0621
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0039	0.0187	0.088
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0126	0.1769
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0107	0.0606	0.2024
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.015	0.0872	0.1528
Echinococcus granulosus	transcription factor Dp 1	0.0037	0.0173	0.0173
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0039	0.0187	0.088
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.004	0.004
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.006	0.0316	0.0982
Brugia malayi	cathepsin L-like precursor	0.0026	0.0106	0.0194
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0064	0.034	0.0546
Onchocerca volvulus		0.0278	0.1673	0.4966
Brugia malayi	Cathepsin L-like precursor	0.0039	0.0187	0.0342
Trichomonas vaginalis	set domain proteins, putative	0.0278	0.1673	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0039	0.0187	0.088
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0039	0.0187	0.0187
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0073	0.0393	0.0719
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0023	0.0043
Schistosoma mansoni	cathepsin s	0.0013	0.0023	0.0023
Mycobacterium tuberculosis	Conserved protein	0.0073	0.0393	0.1259
Toxoplasma gondii	LsmAD domain-containing protein	0.003	0.0126	0.1769
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0152	0.0278
Schistosoma mansoni	vesicular acetylcholine transporter	0.0534	0.3261	0.3261
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0039	0.0187	0.088
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0137	0.0792	0.1411
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0393	0.0719
Trypanosoma cruzi	cysteine proteinase, putative	0.002	0.0068	0.0083
Trichomonas vaginalis	D-aminoacylase, putative	0.0073	0.0393	0.2147
Echinococcus multilocularis	microtubule associated protein 2	0.1619	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0039	0.0187	0.0187
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0047	0.0233	0.0233
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0099	0.0557	0.0557
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0064	0.034	1
Trypanosoma cruzi	cysteine peptidase, putative	0.015	0.0872	0.1559
Loa Loa (eye worm)	glutathione reductase	0.0047	0.0233	0.0427
Plasmodium vivax	ataxin-2 like protein, putative	0.003	0.0126	0.2106
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0107	0.0606	0.2024
Trypanosoma cruzi	cysteine peptidase, putative	0.0039	0.0187	0.03
Loa Loa (eye worm)	transcription factor SMAD2	0.0135	0.0783	0.1432
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0092	0.0513	1
Brugia malayi	Pre-SET motif family protein	0.0245	0.1463	0.2675
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0073	0.0393	0.0393
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0047	0.0233	0.0684
Brugia malayi	Pre-SET motif family protein	0.0036	0.0164	0.03
Entamoeba histolytica	hypothetical protein	0.0037	0.0173	0.3851
Brugia malayi	cathepsin F-like cysteine proteinase	0.0013	0.0023	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0023	0.0043
Echinococcus granulosus	peptidase Clp S14 family	0.006	0.0316	0.0316
Mycobacterium tuberculosis	Probable lipase LipE	0.0073	0.0393	0.1259
Brugia malayi	Cathepsin L-like precursor	0.0039	0.0187	0.0342
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.002	0.0068	0.0068
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.015	0.0872	0.1528
Mycobacterium leprae	conserved hypothetical protein	0.0073	0.0393	0.4703
Loa Loa (eye worm)	vesicular acetylcholine transporter unc-17	0.0534	0.3261	0.5962
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0039	0.0187	0.088
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0835	0.5131	0.5131
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.034	0.0581
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0152	0.0278
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0092	0.0513	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0249	0.0455
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0055	0.0285	0.5151
Leishmania major	cysteine peptidase A (CPA)	0.0039	0.0187	0.0264
Mycobacterium leprae	Probable lipase LipE	0.0073	0.0393	0.4703
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0039	0.0187	0.0342
Echinococcus multilocularis	cathepsin L cysteine protease	0.0039	0.0187	0.0187
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0099	0.0557	0.0557
Loa Loa (eye worm)	histone methyltransferase	0.001	0.0005	0.001
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0005	0.0005
Echinococcus granulosus	vesicular acetylcholine transporter	0.0534	0.3261	0.3261
Loa Loa (eye worm)	hypothetical protein	0.003	0.0126	0.0231
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0073	0.0393	0.1259
Plasmodium falciparum	thioredoxin reductase	0.0047	0.0233	0.4047
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0039	0.0187	0.088
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0016	0.0043	0.0409
Trypanosoma cruzi	cysteine peptidase, putative	0.015	0.0872	0.1559
Loa Loa (eye worm)	fibroinase	0.0039	0.0187	0.0342
Plasmodium vivax	unspecified product	0.002	0.0068	0.0921
Schistosoma mansoni	hypothetical protein	0.0016	0.004	0.004
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0013	0.0025	0.0025
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0107	0.0606	0.2024
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0249	0.0455
Trypanosoma cruzi	major cysteine proteinase, putative	0.0118	0.0673	0.1194
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0164	0.0164
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0039	0.0187	0.088
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0092	0.0513	1
Echinococcus multilocularis	transcription factor Dp 1	0.0037	0.0173	0.0173
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0173	0.0173
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0073	0.0393	0.0719
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0039	0.0187	0.088
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.004	0.0073
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0249	0.0455
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.015	0.0872	0.1528
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.002	0.0068	0.0083
Onchocerca volvulus		0.0073	0.0393	0.091
Schistosoma mansoni	hypothetical protein	0.0034	0.0152	0.0152
Brugia malayi	beta-lactamase family protein	0.0073	0.0393	0.0719
Echinococcus granulosus	cathepsin L	0.002	0.0068	0.0068
Brugia malayi	Cathepsin L-like precursor	0.0026	0.0106	0.0194
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0393	0.0719
Trypanosoma brucei	PAB1-binding protein , putative	0.003	0.0126	0.0153
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0064	0.034	0.034
Plasmodium vivax	thioredoxin reductase, putative	0.0047	0.0233	0.429
Brugia malayi	beta-lactamase	0.0073	0.0393	0.0719
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0039	0.0187	0.088
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0068	0.0154
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0164	0.0164
Onchocerca volvulus		0.0073	0.0393	0.091
Entamoeba histolytica	cysteine proteinase, putative	0.0026	0.0106	0.1388
Trichomonas vaginalis	D-aminoacylase, putative	0.0073	0.0393	0.2147
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0062	0.0325	0.0325
Plasmodium vivax	vivapain-2	0.0039	0.0187	0.3339
Entamoeba histolytica	cysteine proteinase, putative	0.0039	0.0187	0.4361
Trypanosoma cruzi	hypothetical protein, conserved	0.0073	0.0393	0.0679
Onchocerca volvulus		0.0039	0.0187	0.0256
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.015	0.0872	0.1528
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.002	0.0068	0.0068
Schistosoma mansoni	hypothetical protein	0.0037	0.0173	0.0173
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0039	0.0187	0.3055
Entamoeba histolytica	cysteine proteinase, putative	0.0039	0.0187	0.4361
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0039	0.0187	0.088
Loa Loa (eye worm)	hypothetical protein	0.0016	0.004	0.0073
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0012	0.0017	0.0031
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0013	0.0023	0.0043
Leishmania major	cathepsin L-like protease	0.0039	0.0187	0.0264
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.002	0.0068	0.0068
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0036	0.0164	0.0164
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0039	0.0187	0.088
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0039	0.0187	0.088
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0039	0.0187	0.0342
Schistosoma mansoni	peptidase Clp (S14 family)	0.0092	0.0513	0.0513
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0092	0.0513	0.0513
Schistosoma mansoni	cpg binding protein	0.003	0.0129	0.0129
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0039	0.0187	0.088
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.006	0.0316	0.3279
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.002	0.0068	0.0046
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.034	0.0546
Leishmania major	hypothetical protein, conserved	0.0073	0.0393	0.0645
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.004	0.004
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0463	0.2821	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.0036	0.0164	0.0164
Echinococcus granulosus	cathepsin l1	0.0039	0.0187	0.0187
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0036	0.0164	0.0164
Trichomonas vaginalis	D-aminoacylase, putative	0.0073	0.0393	0.2147
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0039	0.0187	0.088
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0036	0.0164	0.2573
Mycobacterium tuberculosis	Conserved protein	0.0073	0.0393	0.1259
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0513	0.0937
Schistosoma mansoni	microtubule-associated protein tau	0.1619	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0039	0.0187	0.0256
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0043	0.0037
Trypanosoma cruzi	cysteine proteinase, putative	0.002	0.0068	0.0083
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0016	0.0043	0.5
Entamoeba histolytica	cysteine protease, putative	0.0039	0.0187	0.4361
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0173	0.0173
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0073	0.0393	0.7456
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0013	0.0023	0.0043
Leishmania major	cathepsin L-like protease	0.0039	0.0187	0.0264
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0164	0.0164
Brugia malayi	hypothetical protein	0.003	0.0126	0.0231
Onchocerca volvulus	Cathepsin L homolog	0.0039	0.0187	0.0256
Onchocerca volvulus		0.0039	0.0187	0.0256
Plasmodium vivax	SET domain protein, putative	0.0036	0.0164	0.2876
Trypanosoma cruzi	cysteine peptidase, putative	0.015	0.0872	0.1559
Schistosoma mansoni	hypothetical protein	0.0016	0.004	0.004
Echinococcus multilocularis	GPCR, family 2	0.0016	0.004	0.004
Plasmodium falciparum	cysteine proteinase falcipain 1	0.002	0.0068	0.0533
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0164	0.03
Onchocerca volvulus	Vesicular acetylcholine transporter homolog	0.0534	0.3261	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0039	0.0187	0.088
Leishmania major	cathepsin L-like protease	0.0039	0.0187	0.0264
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0889	0.5469	1
Onchocerca volvulus		0.0039	0.0187	0.0256
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0016	0.0043	0.0409
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0032	0.0139	0.2039
Schistosoma mansoni	cpg binding protein	0.003	0.0129	0.0129
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0016	0.0043	0.0043
Trypanosoma cruzi	cruzipain precursor, putative	0.015	0.0872	0.1559
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0107	0.0606	0.8631
Brugia malayi	vesicular acetylcholine transporter unc-17	0.0534	0.3261	0.5962
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0107	0.0606	0.2024
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.004	0.0073
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0039	0.0187	0.0187
Plasmodium falciparum	glutathione reductase	0.0047	0.0233	0.4047
Mycobacterium tuberculosis	Probable reductase	0.0107	0.0606	0.2024
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0119	0.0218
Leishmania major	hypothetical protein, conserved	0.003	0.0126	0.0153
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0032	0.0139	0.2364
Schistosoma mansoni	cpg binding protein	0.0028	0.0119	0.0119
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.015	0.0872	0.1528
Toxoplasma gondii	ABC1 family protein	0.0073	0.0393	0.7456
Onchocerca volvulus		0.0036	0.0164	0.0184
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0012	0.0017	0.0031
Brugia malayi	Cathepsin L-like precursor	0.0039	0.0187	0.0342
Brugia malayi	F/Y-rich N-terminus family protein	0.001	0.0005	0.0008
Schistosoma mansoni	hypothetical protein	0.0174	0.1027	0.1027
Brugia malayi	Cathepsin L-like precursor	0.0026	0.0106	0.0194
Echinococcus granulosus	cathepsin l1	0.0026	0.0106	0.0106
Loa Loa (eye worm)	MH2 domain-containing protein	0.0135	0.0783	0.1432
Echinococcus granulosus	GPCR family 2	0.0016	0.004	0.004
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0393	0.0719
Echinococcus granulosus	cysteine protease	0.002	0.0068	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0889	0.5469	1
Plasmodium vivax	hypothetical protein, conserved	0.0073	0.0393	0.756
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.015	0.0872	0.1528
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0099	0.0557	0.1019
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0106	0.0194
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.006	0.0316	0.0982
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0106	0.0385
Echinococcus granulosus	geminin	0.0174	0.1027	0.1027
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0039	0.0187	0.3055

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 16.8 nM	Displacement of (-)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cortical membranes incubated for 2 hrs by liquid scintillation counting based competitive radioligand binding assay	ChEMBL.	26071858
Ki (binding)	= 2387 nM	Displacement of (-)-[3H]vesamicol from rat VAChT expressed in PC12 cell membranes incubated for 2 hrs by liquid scintillation counting based competitive radioligand binding assay	ChEMBL.	26071858

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.

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External resources for this compound

ChEMBL: CHEMBL3589712

Bibliographic References

No literature references available for this target.

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Detailed information for compound 2101772