TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 270.369 | Formula: C17H22N2O
H donors: 1 H acceptors: 1 LogP: 2.78 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)NCC(c1cn2c3c1cccc3CCC2)(C)C
InChi: 1S/C17H22N2O/c1-12(20)18-11-17(2,3)15-10-19-9-5-7-13-6-4-8-14(15)16(13)19/h4,6,8,10H,5,7,9,11H2,1-3H3,(H,18,20)
InChiKey: KXGSDNCPIZBEDE-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
Xenopus laevis	Melatonin receptor 1C	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	follicle stimulating hormone receptor	Melatonin receptor 1C	420 aa	400 aa	22.2 %
Echinococcus granulosus	biogenic amine 5HT receptor	Melatonin receptor 1C	420 aa	349 aa	22.6 %
Echinococcus multilocularis	serotonin receptor	Melatonin receptor 1C	420 aa	350 aa	22.3 %
Schistosoma mansoni	biogenic amine (5HT) receptor	Melatonin receptor 1C	420 aa	423 aa	23.6 %
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	Melatonin receptor 1C	420 aa	340 aa	24.7 %
Onchocerca volvulus		Melatonin receptor 1C	420 aa	337 aa	22.8 %
Echinococcus granulosus	g protein coupled receptor	Melatonin receptor 1C	420 aa	394 aa	22.1 %
Onchocerca volvulus	Phospholipase d-related homolog	Melatonin receptor 1C	420 aa	363 aa	19.3 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Melatonin receptor 1C	420 aa	362 aa	22.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0041	0.0069	0.0214
Plasmodium vivax	unspecified product	0.0155	0.0319	1
Giardia lamblia	Aldose reductase	0.0032	0.0048	0.1506
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0031	0.0036
Loa Loa (eye worm)	oxidoreductase	0.0032	0.0048	0.0048
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0031	0.0036
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	0.0048	0.1506
Brugia malayi	amine oxidase, flavin-containing family protein	0.0041	0.0069	0.0069
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0041	0.0069	0.2154
Echinococcus granulosus	hypothetical protein	0.0032	0.0048	0.015
Mycobacterium tuberculosis	Arylamine N-acetyltransferase Nat (arylamine acetylase)	0.3845	0.8431	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0017	0.0017
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0041	0.0069	0.0214
Schistosoma mansoni	cellular tumor antigen P53	0.005	0.0087	0.0272
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.0254	0.0791
Brugia malayi	hypothetical protein	0.0051	0.009	0.009
Mycobacterium leprae	Conserved hypothetical protein	0.0023	0.0028	0.4052
Giardia lamblia	Aldose reductase	0.0032	0.0048	0.1506
Trypanosoma brucei	PAB1-binding protein , putative	0.0051	0.009	0.2813
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	0.0048	0.1506
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0017	0.2519
Mycobacterium ulcerans	dehydrogenase	0.0041	0.0069	0.0082
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0031	0.0031
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.0041	0.0069	1
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.0254	0.0791
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0041	0.0069	0.0214
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.0031	0.0956
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0041	0.0069	0.0214
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0069	0.0069
Plasmodium falciparum	CDGSH iron-sulfur domain-containing protein, putative	0.0029	0.0042	0.1305
Echinococcus granulosus	casein kinase ii subunit alpha	0.0155	0.0319	0.0995
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0031	0.4438
Echinococcus multilocularis	tar DNA binding protein	0.0125	0.0254	0.0791
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0031	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0051	0.009	0.009
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.0048	0.015
Schistosoma mansoni	hypothetical protein	0.0171	0.0355	0.1106
Trypanosoma brucei	aldo-keto reductase, putative	0.0032	0.0048	0.1506
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0032	0.0048	0.1506
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0041	0.0069	0.2154
Trichomonas vaginalis	aldo/keto reductase, putative	0.0032	0.0048	0.1506
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	0.0048	0.015
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	0.0048	0.1506
Mycobacterium tuberculosis	Possible oxidoreductase	0.0041	0.0069	0.0064
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0032	0.0048	0.0608
Trypanosoma cruzi	PAB1-binding protein , putative	0.0051	0.009	0.2813
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	0.0048	0.015
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0032	0.0048	0.1506
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0031	0.0956
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0032	0.0048	0.0048
Onchocerca volvulus		0.0032	0.0048	0.015
Echinococcus multilocularis		0.0041	0.0069	0.0214
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0031	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0069	0.0069
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.001	0.000000061179	0.0000019171
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0041	0.0069	0.2154
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	0.0048	0.1506
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	0.0048	0.1506
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0181	0.0376	0.1172
Onchocerca volvulus		0.0203	0.0425	0.1325
Plasmodium vivax	hypothetical protein, conserved	0.0029	0.0042	0.1305
Trypanosoma cruzi	aldo-keto reductase	0.0032	0.0048	0.1506
Echinococcus granulosus	tar DNA binding protein	0.0125	0.0254	0.0791
Trichomonas vaginalis	CMGC family protein kinase	0.0155	0.0319	1
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0023	0.0028	0.0088
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0032	0.0048	0.0048
Brugia malayi	RNA binding protein	0.0125	0.0254	0.0254
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	0.0048	0.1506
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	0.0048	0.1506
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	0.0048	0.015
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0069	0.0069
Loa Loa (eye worm)	TAR-binding protein	0.0125	0.0254	0.0254
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0069	0.0069
Toxoplasma gondii	aldose reductase, putative	0.0032	0.0048	0.1506
Brugia malayi	RE40412p	0.0029	0.0042	0.0042
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.0048	0.015
Echinococcus multilocularis	geminin	0.0171	0.0355	0.1106
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0031	0.4438
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0041	0.0069	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0031	0.0018
Trichomonas vaginalis	CMGC family protein kinase	0.0155	0.0319	1
Plasmodium falciparum	CDGSH iron-sulfur domain-containing protein, putative	0.0029	0.0042	0.1305
Schistosoma mansoni	chromosome transmission fidelity factor	0.001	0.000000061179	0.00000019084
Echinococcus granulosus	cdgsh iron sulfur domain containing protein	0.0478	0.1029	0.3209
Loa Loa (eye worm)	hypothetical protein	0.0181	0.0376	0.0376
Toxoplasma gondii	ATPase, AAA family protein	0.001	0.000000061179	0.0000019171
Leishmania major	casein kinase II, putative	0.0155	0.0319	1
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.0041	0.0069	0.0082
Onchocerca volvulus		0.1464	0.3197	0.9972
Schistosoma mansoni	CDGSH-type Zn finger-containing protein-like protein	0.0506	0.1092	0.3406
Mycobacterium ulcerans	arylamine N-acetyltransferase Nat	0.3845	0.8431	1
Schistosoma mansoni	aldo-keto reductase	0.0032	0.0048	0.015
Schistosoma mansoni	protein kinase	0.0155	0.0319	0.0995
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0032	0.0048	0.0048
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.0048	0.015
Onchocerca volvulus		0.0024	0.0031	0.0095
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0017	0.0017
Onchocerca volvulus		0.1468	0.3206	1
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0041	0.0069	0.2154
Echinococcus granulosus	rho-associated protein kinase 1	0.1468	0.3206	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	0.0048	0.1506
Trichomonas vaginalis	CMGC family protein kinase	0.0155	0.0319	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.0048	0.015
Echinococcus granulosus	conserved hypothetical protein	0.0029	0.0042	0.013
Trichomonas vaginalis	aldo/keto reductase, putative	0.0032	0.0048	0.1506
Onchocerca volvulus		0.0032	0.0048	0.015
Echinococcus granulosus	aldo keto reductase	0.0032	0.0048	0.015
Brugia malayi	TAR-binding protein	0.0125	0.0254	0.0254
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.001	0.000000061179	0.0000019171
Echinococcus granulosus	aldehyde reductase	0.0023	0.0028	0.0087
Schistosoma mansoni	amine oxidase	0.0041	0.0069	0.0214
Brugia malayi	RE40412p	0.0029	0.0042	0.0042
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0017	0.0543
Trypanosoma cruzi	casein kinase II, putative	0.0155	0.0319	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0051	0.009	0.2813
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0031	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0017	0.0017
Loa Loa (eye worm)	CMGC/CK2 protein kinase	0.0155	0.0319	0.0319
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.0254	0.0791
Echinococcus granulosus	aldo keto reductase	0.0032	0.0048	0.015
Schistosoma mansoni	pol-related	0.0032	0.0048	0.015
Leishmania major	hypothetical protein, unknown function	0.0029	0.0042	0.0386
Brugia malayi	RNA recognition motif domain containing protein	0.0125	0.0254	0.0254
Trypanosoma brucei	Casein kinase II	0.0155	0.0319	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	0.0048	0.1506
Trichomonas vaginalis	CMGC family protein kinase	0.0155	0.0319	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	0.0048	0.015
Schistosoma mansoni	serine/threonine protein kinase	0.1468	0.3206	1
Loa Loa (eye worm)	oxidoreductase	0.0032	0.0048	0.0048
Leishmania major	aldo-keto reductase-like protein	0.0032	0.0048	0.0608
Plasmodium vivax	casein kinase 2, alpha subunit, putative	0.0155	0.0319	1
Plasmodium vivax	hypothetical protein, conserved	0.0029	0.0042	0.1305
Entamoeba histolytica	aldose reductase, putative	0.0032	0.0048	0.1506
Leishmania major	UDP-galactopyranose mutase	0.0041	0.0069	0.1325
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0042	0.0042
Toxoplasma gondii	LsmAD domain-containing protein	0.0051	0.009	0.2813
Mycobacterium ulcerans	oxidoreductase	0.0032	0.0048	0.0057
Echinococcus multilocularis	casein kinase ii subunit alpha	0.0155	0.0319	0.0995
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.001	0.000000061179	0.0000019171
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0048	0.0048
Echinococcus granulosus	replication factor c subunit 1	0.001	0.000000061179	0.00000019084
Onchocerca volvulus		0.0032	0.0048	0.015
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0032	0.0048	0.1506
Trichomonas vaginalis	CMGC family protein kinase	0.0155	0.0319	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0017	0.0003
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0041	0.0069	0.0214
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.0048	0.015
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	0.0048	0.1506
Entamoeba histolytica	casein kinase, putative	0.0155	0.0319	1
Onchocerca volvulus		0.0029	0.0042	0.013
Plasmodium vivax	hypothetical protein, conserved	0.0041	0.0069	0.2154
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0017	0.0543
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	0.0048	0.015
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0125	0.0254	0.0254
Mycobacterium tuberculosis	Probable oxidoreductase	0.0032	0.0048	0.0039
Echinococcus multilocularis	rho associated protein kinase	0.1468	0.3206	1
Onchocerca volvulus		0.005	0.0087	0.0272
Onchocerca volvulus		0.0029	0.0042	0.013
Plasmodium falciparum	CDGSH iron-sulfur domain-containing protein, putative	0.0029	0.0042	0.1305
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.0048	0.015
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	0.0048	0.015
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0032	0.0048	0.6989
Mycobacterium ulcerans	monoamine oxidase	0.0041	0.0069	0.0082
Brugia malayi	hypothetical protein	0.0033	0.005	0.005
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0812	0.1763	0.5499
Plasmodium vivax	hypothetical protein, conserved	0.0029	0.0042	0.1305
Entamoeba histolytica	aldose reductase, putative	0.0032	0.0048	0.1506
Mycobacterium ulcerans	oxidoreductase	0.0041	0.0069	0.0082
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	0.0048	0.015
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0023	0.0028	0.0088
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0032	0.0048	0.0608
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0031	0.0036
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	0.0048	0.1506
Onchocerca volvulus		0.0041	0.0069	0.0214
Toxoplasma gondii	CMGC kinase, CK2 family	0.0155	0.0319	1
Trypanosoma brucei	prostaglandin f synthase	0.0032	0.0048	0.1506
Trichomonas vaginalis	CMGC family protein kinase	0.0155	0.0319	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0031	0.0036
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0584	0.1262	0.1497
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0018	0.0017	0.0021
Toxoplasma gondii	zinc finger CDGSH-type domain-containing protein	0.0029	0.0042	0.1305
Echinococcus multilocularis	aldehyde reductase	0.0023	0.0028	0.0087
Toxoplasma gondii	zinc finger cdgsh type protein	0.0029	0.0042	0.1305
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.0254	0.0791
Loa Loa (eye worm)	AGC/DMPK/ROCK protein kinase	0.4558	1	1
Echinococcus granulosus	geminin	0.0171	0.0355	0.1106
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.001	0	0.5
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0031	0.0036
Toxoplasma gondii	histone lysine-specific demethylase	0.0041	0.0069	0.2154
Schistosoma mansoni	hypothetical protein	0.0029	0.0042	0.013
Onchocerca volvulus		0.0032	0.0048	0.015
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0031	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0017	0.0017
Leishmania major	hypothetical protein, conserved	0.0051	0.009	0.2054
Trichomonas vaginalis	CMGC family protein kinase	0.0155	0.0319	1
Treponema pallidum	DNA ligase (lig)	0.001	0	0.5
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.0048	0.015
Loa Loa (eye worm)	hypothetical protein	0.0203	0.0425	0.0425
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0041	0.0069	0.2154
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	0.0048	0.015
Entamoeba histolytica	protein kinase domain containing protein	0.0155	0.0319	1
Giardia lamblia	Kinase, CMGC CK2	0.0155	0.0319	1
Brugia malayi	N-terminal motif family protein	0.0181	0.0376	0.0376
Loa Loa (eye worm)	oxidoreductase	0.0032	0.0048	0.0048
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0041	0.0069	0.0064
Echinococcus multilocularis	replication factor c subunit 1	0.001	0.000000061179	0.00000019084
Loa Loa (eye worm)	hypothetical protein	0.005	0.0087	0.0087
Brugia malayi	SWIRM domain containing protein	0.0041	0.0069	0.0069
Loa Loa (eye worm)	oxidoreductase	0.0032	0.0048	0.0048
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0031	0.0036
Trichomonas vaginalis	aldo/keto reductase, putative	0.0032	0.0048	0.1506
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.0543	0.1172	0.1374
Schistosoma mansoni	hypothetical protein	0.0023	0.0028	0.0088
Echinococcus multilocularis	tumor protein p63	0.0338	0.0722	0.2252
Entamoeba histolytica	aldose reductase, putative	0.0032	0.0048	0.1506
Leishmania major	prostaglandin f synthase, putative	0.0032	0.0048	0.0608
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0031	0.0031
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0041	0.0069	0.2154
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.0048	0.015
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0031	0.0031
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.0048	0.015
Echinococcus granulosus	aldo keto reductase	0.0032	0.0048	0.015
Echinococcus granulosus	tumor protein p63	0.0338	0.0722	0.2252
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	0.0048	0.1506
Schistosoma mansoni	amine oxidase	0.0041	0.0069	0.0214
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0031	0.0018
Onchocerca volvulus		0.0032	0.0048	0.015
Toxoplasma gondii	PfMNL-2 CISD1 family iron-sulfur protein, putative	0.0029	0.0042	0.1305
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0032	0.0048	0.0048
Schistosoma mansoni	hypothetical protein	0.0171	0.0355	0.1106
Schistosoma mansoni	hypothetical protein	0.0506	0.1092	0.3406
Loa Loa (eye worm)	RNA binding protein	0.0125	0.0254	0.0254
Trichomonas vaginalis	replication factor C large subunit, putative	0.001	0.000000061179	0.0000019171
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0069	0.0069
Echinococcus multilocularis	conserved hypothetical protein	0.0029	0.0042	0.013
Plasmodium vivax	hypothetical protein, conserved	0.0041	0.0069	0.2154
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0031	0.0956
Plasmodium falciparum	casein kinase 2, alpha subunit	0.0155	0.0319	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0042	0.0042
Echinococcus multilocularis	aldo keto reductase	0.0032	0.0048	0.015
Plasmodium vivax	ataxin-2 like protein, putative	0.0051	0.009	0.2813
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0031	0.0036
Onchocerca volvulus		0.0032	0.0048	0.015
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	0.0048	0.015
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0017	0.0017
Echinococcus multilocularis	aldo keto reductase	0.0032	0.0048	0.015
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0584	0.1262	0.1497
Trypanosoma cruzi	aldo/keto reductase, putative	0.0032	0.0048	0.1506
Echinococcus multilocularis	cdgsh iron sulfur domain containing protein	0.0478	0.1029	0.3209
Brugia malayi	hypothetical protein	0.0041	0.0069	0.0069
Loa Loa (eye worm)	oxidoreductase	0.0032	0.0048	0.0048
Plasmodium falciparum	ataxin-2 like protein, putative	0.0051	0.009	0.2813
Echinococcus multilocularis	aldo keto reductase	0.0032	0.0048	0.015
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0041	0.0069	0.2154
Echinococcus multilocularis	aldo keto reductase	0.0032	0.0048	0.015
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.0048	0.015
Brugia malayi	Uncharacterized hematopoietic stem/progenitor cells protein MDS029	0.0203	0.0425	0.0425
Schistosoma mansoni	aldo-keto reductase	0.0032	0.0048	0.015
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.0048	0.015
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0041	0.0069	0.0214
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0069	0.0069
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.0254	0.0791
Plasmodium falciparum	protoporphyrinogen oxidase	0.0041	0.0069	0.2154
Trypanosoma cruzi	PAB1-binding protein , putative	0.0051	0.009	0.2813
Brugia malayi	Casein kinase II, alpha chain	0.0155	0.0319	0.0319

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= -5.72	Agonist activity in Xenopus laevis melanophores assessed as melatoninergic activity	ChEMBL.	17346859
IC50 (functional)	= -4	Antagonist activity in Xenopus laevis melanophores assessed as melatoninergic activity after 60 mins	ChEMBL.	17346859
Log EC50 (functional)	= 5.72	Agonist activity in Xenopus laevis melanophores assessed as melatoninergic activity	ChEMBL.	17346859
Log IC50 (functional)	= 4	Antagonist activity in Xenopus laevis melanophores assessed as melatoninergic activity after 60 mins	ChEMBL.	17346859
Log Ki (binding)		Displacement of 2[125I]iodomelatonin from recombinant human MT1 receptor expressed in NIH 3T3 cells	ChEMBL.	17346859
Log Ki (binding)		Displacement of 2[125I]iodomelatonin from recombinant human MT2 receptor expressed in NIH 3T3 cells	ChEMBL.	17346859
Log Ki (binding)	0	Displacement of 2[125I]iodomelatonin from recombinant human MT1 receptor expressed in NIH 3T3 cells	ChEMBL.	17346859
Log Ki (binding)	0	Displacement of 2[125I]iodomelatonin from recombinant human MT2 receptor expressed in NIH 3T3 cells	ChEMBL.	17346859

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: CHEMBL396991
PubChem: 16743127

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 435216