TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 369.472 | Formula: C23H28FNO2
H donors: 1 H acceptors: 1 LogP: 4.25 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: FCCOc1cccc2c1C[C@H](N1CCC(CC1)c1ccccc1)[C@H](C2)O
InChi: 1S/C23H28FNO2/c24-11-14-27-23-8-4-7-19-15-22(26)21(16-20(19)23)25-12-9-18(10-13-25)17-5-2-1-3-6-17/h1-8,18,21-22,26H,9-16H2/t21-,22-/m0/s1
InChiKey: QDERQSYUBLZZNW-VXKWHMMOSA-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	Sigma opioid receptor	Starlite/ChEMBL	References
Rattus norvegicus	Vesicular acetylcholine transporter	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Loa Loa (eye worm)	vesicular acetylcholine transporter unc-17	Get druggable targets OG5_133283	All targets in OG5_133283
Schistosoma mansoni	vesicular acetylcholine transporter	Get druggable targets OG5_133283	All targets in OG5_133283
Trypanosoma brucei	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
Onchocerca volvulus	Vesicular acetylcholine transporter homolog	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 cruzi	C-8 sterol isomerase, putative	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
Loa Loa (eye worm)	hypothetical 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
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
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
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
Leishmania braziliensis	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Echinococcus multilocularis	vesicular acetylcholine transporter	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
Brugia malayi	vesicular acetylcholine transporter unc-17	Get druggable targets OG5_133283	All targets in OG5_133283

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
Entamoeba histolytica	protein kinase domain containing protein	0.0881	1	1
Entamoeba histolytica	protein kinase domain containing protein	0.0881	1	1
Trichomonas vaginalis	CAMK family protein kinase	0.006	0.0581	0.0581
Trichomonas vaginalis	CAMK family protein kinase	0.0113	0.1188	0.1188
Trypanosoma brucei	DNA polymerase kappa, putative	0.0015	0.0058	0.0003
Schistosoma mansoni	phosphatidylinositol-4-phosphate-5-kinaseputativ e	0.0014	0.0054	0.0054
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0021	0.0134	0.0134
Giardia lamblia	Hypothetical protein	0.0014	0.0054	0.0054
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.011	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0219	0.0166
Loa Loa (eye worm)	jmjC domain-containing protein	0.0035	0.0289	0.0236
Onchocerca volvulus		0.018	0.1958	0.183
Brugia malayi	Pip kinase protein 2	0.018	0.1958	0.1915
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0089	0.0035
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0881	1	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0134	0.008
Toxoplasma gondii	phosphatidylinositol-4-phosphate 5-Kinase	0.0014	0.0054	0.0054
Echinococcus granulosus	phosphatidylinositol 5 phosphate 4 kinase type 2	0.018	0.1958	0.1958
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0113	0.1188	0.1188
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0134	0.008
Onchocerca volvulus	Vesicular acetylcholine transporter homolog	0.0267	0.2951	0.2838
Schistosoma mansoni	microtubule-associated protein tau	0.0683	0.7728	0.7728
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0157	0.0157
Loa Loa (eye worm)	pip kinase 2	0.018	0.1958	0.1915
Schistosoma mansoni	phosphatidylinositol-4-phosphate 5-kinase type I	0.0014	0.0054	0.0054
Brugia malayi	ImpB/MucB/SamB family protein	0.0021	0.0134	0.008
Echinococcus granulosus	microtubule associated protein 2	0.0683	0.7728	0.7728
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0134	0.008
Brugia malayi	jmjC domain containing protein	0.0035	0.0289	0.0236
Trypanosoma cruzi	polo-like protein kinase, putative	0.0113	0.1188	0.114
Entamoeba histolytica	phosphatidylinositol-4-phosphate 5-kinase, putative	0.0014	0.0054	0.0054
Leishmania major	DNA polymerase eta, putative	0.005	0.0458	0.0406
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0289	0.0289
Loa Loa (eye worm)	vesicular acetylcholine transporter unc-17	0.0267	0.2951	0.2913
Plasmodium vivax	phosphatidylinositol-4-phosphate 5-kinase, putative	0.0014	0.0054	0.0054
Plasmodium falciparum	phd finger protein, putative	0.0029	0.0219	0.0219
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0098	0.1008	0.1008
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0157	1
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0021	0.0134	0.008
Trypanosoma brucei	unspecified product	0.0021	0.0134	0.008
Trypanosoma brucei	protein kinase, putative	0.0881	1	1
Echinococcus granulosus	jumonji domain containing protein	0.004	0.0349	0.0349
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0098	0.1008	0.1008
Brugia malayi	jmjC domain containing protein	0.0095	0.0973	0.0924
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0157	0.0104
Trichomonas vaginalis	phosphatidylinositol-4-phosphate 5-kinase type II, putative	0.0014	0.0054	0.0054
Leishmania major	DNA polymerase kappa, putative	0.0021	0.0134	0.008
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0113	0.1188	0.114
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0.011	0.4028
Brugia malayi	serine/threonine-protein kinase plk-2	0.0113	0.1188	0.114
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0021	0.0134	0.7024
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0019	0.011	0.011
Entamoeba histolytica	protein kinase, putative	0.0881	1	1
Schistosoma mansoni	phosphatidylinositol-4-phosphate 5-kinase type II	0.0014	0.0054	0.0054
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0035	0.0289	0.0289
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0089	0.0089
Plasmodium falciparum	phosphatidylinositol-4-phosphate 5-kinase	0.0014	0.0054	0.0054
Loa Loa (eye worm)	PHD-finger family protein	0.0029	0.0219	0.0166
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0095	0.0973	0.0973
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0881	1	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0157	0.0104
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0157	0.0104
Giardia lamblia	Kinase, CMGC GSK	0.0881	1	1
Toxoplasma gondii	phosphatidylinositol-4-phosphate 5-Kinase	0.0014	0.0054	0.0054
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0113	0.1188	0.1188
Echinococcus granulosus	peregrin	0.0029	0.0219	0.0219
Toxoplasma gondii	exonuclease III APE	0.0019	0.011	0.011
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0445	0.499	0.4962
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0089	0.0035
Loa Loa (eye worm)	MH2 domain-containing protein	0.0118	0.1244	0.1197
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0021	0.0134	0.008
Trichomonas vaginalis	DNA polymerase eta, putative	0.0021	0.0134	0.0134
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0881	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0134	0.008
Leishmania major	C-8 sterol isomerase-like protein	0.0445	0.499	0.4962
Brugia malayi	ImpB/MucB/SamB family protein	0.005	0.0458	0.0406
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0089	0.0035
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0134	0.008
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0219	0.0219
Trichomonas vaginalis	CAMK family protein kinase	0.0113	0.1188	0.1188
Echinococcus granulosus	vesicular acetylcholine transporter	0.0267	0.2951	0.2951
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0134	0.008
Trypanosoma cruzi	DNA polymerase eta, putative	0.005	0.0458	0.0406
Trichomonas vaginalis	CAMK family protein kinase	0.0113	0.1188	0.1188
Leishmania major	DNA polymerase eta, putative	0.0035	0.0289	0.0236
Echinococcus granulosus	PHD finger protein rhinoceros	0.0029	0.0219	0.0219
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0157	1
Schistosoma mansoni	phosphatidylinositol-4-phosphate 5-kinase type II	0.018	0.1958	0.1958
Giardia lamblia	PHD finger protein 15	0.0029	0.0219	0.0219
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0098	0.1008	0.1008
Mycobacterium ulcerans	DNA polymerase IV	0.0021	0.0134	0.6544
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0095	0.0973	0.0973
Schistosoma mansoni	jumonji domain containing protein	0.0075	0.075	0.075
Echinococcus multilocularis	dna polymerase kappa	0.0021	0.0134	0.0134
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0289	0.0289
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0134	0.008
Trichomonas vaginalis	CAMK family protein kinase	0.0113	0.1188	0.1188
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0157	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0157	0.5
Entamoeba histolytica	phosphoinositide kinase, putative	0.0014	0.0054	0.0054
Mycobacterium ulcerans	DNA polymerase IV	0.0021	0.0134	0.6544
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0098	0.1008	0.1008
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0219	0.0219
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0157	0.0104
Trypanosoma brucei	DNA polymerase kappa, putative	0.0015	0.0058	0.0003
Echinococcus multilocularis	dna polymerase eta	0.005	0.0458	0.0458
Trichomonas vaginalis	CAMK family protein kinase	0.0113	0.1188	0.1188
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.011	0.0056
Brugia malayi	PHD-finger family protein	0.0029	0.0219	0.0166
Echinococcus granulosus	dna polymerase kappa	0.0021	0.0134	0.0134
Echinococcus granulosus	protein kinase shaggy	0.0881	1	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0157	1
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0157	0.0104
Schistosoma mansoni	DNA polymerase eta	0.005	0.0458	0.0458
Schistosoma mansoni	phosphatidylinositol-4-phosphate 5-kinase type II	0.018	0.1958	0.1958
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0134	0.008
Echinococcus multilocularis	peregrin	0.0029	0.0219	0.0219
Giardia lamblia	Phosphatidylinositol-4-phosphate 5-kinase, putative	0.0014	0.0054	0.0054
Plasmodium vivax	hypothetical protein, conserved	0.0029	0.0219	0.0219
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0021	0.0134	0.0134
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0134	0.008
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0029	0.0219	0.0219
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0029	0.0219	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0456	0.0404
Trypanosoma cruzi	polo-like protein kinase, putative	0.0113	0.1188	0.114
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0.011	0.011
Echinococcus granulosus	phosphatidylinositol phosphate 5 kinase type III	0.0014	0.0054	0.0054
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0021	0.0134	0.0134
Brugia malayi	vesicular acetylcholine transporter unc-17	0.0267	0.2951	0.2913
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.011	0.0056
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0098	0.1008	0.1008
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0089	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0157	0.0104
Echinococcus multilocularis	protein kinase shaggy	0.0881	1	1
Schistosoma mansoni	ap endonuclease	0.0019	0.011	0.011
Schistosoma mansoni	ap endonuclease	0.0019	0.011	0.011
Trypanosoma brucei	DNA polymerase kappa, putative	0.0015	0.0058	0.0003
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.011	0.011
Trypanosoma brucei	unspecified product	0.0015	0.0058	0.0003
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.011	0.011
Onchocerca volvulus	Alhambra homolog	0.0029	0.0219	0.0063
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0157	0.5
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0157	0.0104
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0021	0.0134	0.0134
Echinococcus multilocularis	microtubule associated protein 2	0.0683	0.7728	0.7728
Echinococcus multilocularis	lysine specific demethylase 5A	0.0035	0.0289	0.0289
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0881	1	1
Echinococcus multilocularis	geminin	0.0188	0.2046	0.2046
Plasmodium falciparum	glycogen synthase kinase 3	0.0881	1	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0157	1
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0021	0.0134	0.0134
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0113	0.1188	0.114
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.011	0.5
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.011	0.011
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0089	0.0089
Trichomonas vaginalis	CAMK family protein kinase	0.006	0.0581	0.0581
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0098	0.1008	0.1008
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0019	0.011	0.0056
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0098	0.1008	0.0959
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.011	0.0056
Loa Loa (eye worm)	jmjC domain-containing protein	0.006	0.0572	0.0521
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0134	0.008
Trichomonas vaginalis	phosphatidylinositol-4-phosphate 5-kinase type II, putative	0.0014	0.0054	0.0054
Giardia lamblia	Kinase, CMGC GSK	0.0881	1	1
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.0445	0.499	0.4962
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0881	1	1
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0089	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0098	0.1008	0.1008
Schistosoma mansoni	hypothetical protein	0.0029	0.0219	0.0219
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0134	0.008
Loa Loa (eye worm)	hypothetical protein	0.0227	0.2496	0.2455
Trypanosoma brucei	polo-like protein kinase	0.0113	0.1188	0.114
Brugia malayi	Bromodomain containing protein	0.0029	0.0219	0.0166
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0134	0.008
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0134	0.008
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0089	0.0035
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0021	0.0134	0.0134
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0157	1
Loa Loa (eye worm)	hypothetical protein	0.018	0.1958	0.1915
Toxoplasma gondii	phosphatidylinositol-4-phosphate 5-kinase	0.0014	0.0054	0.0054
Schistosoma mansoni	phosphatidylinositol-4-phosphate 5-kinase type II	0.0014	0.0054	0.0054
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.0157	0.0157
Schistosoma mansoni	vesicular acetylcholine transporter	0.0267	0.2951	0.2951
Echinococcus granulosus	dna polymerase eta	0.005	0.0458	0.0458
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.011	0.5
Trichomonas vaginalis	CMGC family protein kinase	0.0881	1	1
Trypanosoma brucei	unspecified product	0.0015	0.0058	0.0003
Echinococcus multilocularis	jumonji domain containing protein	0.004	0.0349	0.0349
Brugia malayi	MH2 domain containing protein	0.0118	0.1244	0.1197
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0134	0.008
Loa Loa (eye worm)	hypothetical protein	0.0445	0.499	0.4962
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0098	0.1008	0.0959
Onchocerca volvulus		0.0881	1	1
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.011	0.011
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.011	0.011
Trichomonas vaginalis	CAMK family protein kinase	0.0113	0.1188	0.1188
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0134	0.008
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0134	0.008
Giardia lamblia	Kinase, PLK	0.0113	0.1188	0.1188
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0019	0.011	0.3064
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0134	0.008
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0157	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0157	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0118	0.1244	0.1197
Echinococcus multilocularis	vesicular acetylcholine transporter	0.0267	0.2951	0.2951
Echinococcus granulosus	Phosphatidylinositol 4 phosphate 5 kinase type 1	0.0014	0.0054	0.0054
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0089	0.139
Schistosoma mansoni	serine/threonine protein kinase	0.0113	0.1188	0.1188
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0157	1
Schistosoma mansoni	kinase	0.0062	0.0597	0.0597
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0113	0.1188	0.1188
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0881	1	1
Echinococcus multilocularis	phosphatidylinositol 5 phosphate 4 kinase type 2	0.018	0.1958	0.1958
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.011	0.011
Echinococcus granulosus	geminin	0.0188	0.2046	0.2046
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0157	0.0157
Trypanosoma cruzi	DNA polymerase eta, putative	0.0035	0.0289	0.0236
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0881	1	1
Echinococcus granulosus	lysine specific demethylase 5A	0.0035	0.0289	0.0289
Trichomonas vaginalis	CMGC family protein kinase	0.0881	1	1
Trypanosoma brucei	DNA polymerase eta, putative	0.005	0.0458	0.0406
Echinococcus multilocularis	phosphatidylinositol phosphate 5 kinase type III	0.0014	0.0054	0.0054
Schistosoma mansoni	hypothetical protein	0.0188	0.2046	0.2046
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0113	0.1188	0.1047
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0021	0.0134	0.7024
Schistosoma mansoni	hypothetical protein	0.0188	0.2046	0.2046
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0157	0.0104
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0835	0.9465	0.9465
Echinococcus multilocularis	Phosphatidylinositol 4 phosphate 5 kinase type 1	0.0014	0.0054	0.0054
Trichomonas vaginalis	CAMK family protein kinase	0.0113	0.1188	0.1188
Giardia lamblia	DINP protein human, muc B family	0.0021	0.0134	0.0134
Plasmodium vivax	hypothetical protein, conserved	0.0014	0.0054	0.0054
Plasmodium vivax	glycogen synthase kinase 3, putative	0.0881	1	1
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0881	1	1
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0445	0.499	0.4962
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0157	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0458	0.0406
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.011	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0157	0.0104

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 56.9 nM	Displacement of (-)-[3H]vesamicol from rat VAChT expressed in rat PC12 cells after 60 mins	ChEMBL.	20889347
Ki (binding)	= 269 nM	Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat cortical membranes after 120 mins	ChEMBL.	20889347

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: CHEMBL1271850

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1475351