TDR Targets

Basic information

Technical information

TDR Targets ID: 55646
Name: 2,9-dichloro-7-(2-fluorophenyl)-5H-pyrimido[5 ,4-d][2]benzazepine
MW: 358.197 | Formula: C18H10Cl2FN3
H donors: 0 H acceptors: 2 LogP: 4.64 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc2c(c1)C(=NCc1c2nc(Cl)nc1)c1ccccc1F
InChi: 1S/C18H10Cl2FN3/c19-11-5-6-12-14(7-11)17(13-3-1-2-4-15(13)21)22-8-10-9-23-18(20)24-16(10)12/h1-7,9H,8H2
InChiKey: ZEGKMPUYDXONKA-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
Rattus norvegicus	GABA-A receptor; anion channel	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
Onchocerca volvulus		GABA-A receptor; anion channel	467 aa	454 aa	30.4 %
Loa Loa (eye worm)	hypothetical protein	GABA-A receptor; anion channel	467 aa	441 aa	33.8 %
Onchocerca volvulus		GABA-A receptor; anion channel	467 aa	434 aa	26.7 %
Echinococcus granulosus	glycine receptor subunit beta	GABA-A receptor; anion channel	467 aa	439 aa	29.6 %
Echinococcus multilocularis	glycine receptor subunit alpha 1	GABA-A receptor; anion channel	467 aa	430 aa	32.3 %
Brugia malayi	Cation transporter family protein	GABA-A receptor; anion channel	467 aa	453 aa	28.5 %
Onchocerca volvulus		GABA-A receptor; anion channel	467 aa	468 aa	28.6 %
Loa Loa (eye worm)	hypothetical protein	GABA-A receptor; anion channel	467 aa	446 aa	29.1 %
Onchocerca volvulus		GABA-A receptor; anion channel	467 aa	446 aa	28.0 %
Onchocerca volvulus		GABA-A receptor; anion channel	467 aa	447 aa	25.7 %
Onchocerca volvulus	Large subunit GTPase 1 homolog	GABA-A receptor; anion channel	467 aa	496 aa	26.0 %
Onchocerca volvulus	Eukaryotic initiation factor 4A-III homolog	GABA-A receptor; anion channel	467 aa	453 aa	26.9 %
Echinococcus multilocularis	glycine receptor subunit beta	GABA-A receptor; anion channel	467 aa	478 aa	28.7 %
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	GABA-A receptor; anion channel	467 aa	479 aa	29.2 %
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	GABA-A receptor; anion channel	467 aa	454 aa	29.5 %
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	GABA-A receptor; anion channel	467 aa	379 aa	19.3 %
Loa Loa (eye worm)	hypothetical protein	GABA-A receptor; anion channel	467 aa	461 aa	27.8 %
Loa Loa (eye worm)	hypothetical protein	GABA-A receptor; anion channel	467 aa	494 aa	25.5 %
Onchocerca volvulus		GABA-A receptor; anion channel	467 aa	435 aa	29.7 %
Onchocerca volvulus	Gamma-aminobutyric acid receptor subunit beta homolog	GABA-A receptor; anion channel	467 aa	433 aa	34.6 %
Echinococcus granulosus	glycine receptor subunit alpha 1	GABA-A receptor; anion channel	467 aa	430 aa	32.3 %
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	GABA-A receptor; anion channel	467 aa	375 aa	21.9 %
Onchocerca volvulus	Acetylcholine receptor subunit alpha-type homolog	GABA-A receptor; anion channel	467 aa	418 aa	19.6 %
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	GABA-A receptor; anion channel	467 aa	384 aa	19.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	tubulin subunit beta	0.0048	0.0129	0.0129
Brugia malayi	AKH receptor	0.0125	0.0582	0.0582
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0125	0.0582	0.0582
Leishmania major	beta tubulin	0.0048	0.0129	0.3451
Schistosoma mansoni	tubulin subunit beta	0.0048	0.0129	0.0129
Echinococcus multilocularis	serotonin receptor	0.0125	0.0582	0.0582
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0125	0.0582	0.0582
Trypanosoma cruzi	cytochrome P450, putative	0.0089	0.0373	1
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0125	0.0582	0.0582
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0125	0.0582	0.0582
Echinococcus granulosus	g protein coupled receptor	0.0125	0.0582	0.0582
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0125	0.0582	0.0582
Trypanosoma cruzi	cytochrome P450, putative	0.0089	0.0373	1
Echinococcus granulosus	dro:myosuppressin receptor	0.0125	0.0582	0.0582
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0026	0	0.5
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0125	0.0582	0.0582
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0125	0.0582	0.0582
Echinococcus multilocularis	g-protein coupled receptor	0.0125	0.0582	0.0582
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0125	0.0582	0.0582
Brugia malayi	G protein-coupled receptor F59B2.13	0.0125	0.0582	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Echinococcus granulosus	beta tubulin	0.0048	0.0129	0.0129
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0125	0.0582	0.0582
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0125	0.0582	0.0582
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0026	0	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0125	0.0582	0.0582
Leishmania major	beta tubulin	0.0048	0.0129	0.3451
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0026	0	0.5
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0125	0.0582	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Echinococcus multilocularis	G protein coupled receptor 139	0.0125	0.0582	0.0582
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0125	0.0582	0.0582
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0125	0.0582	0.0582
Brugia malayi	larval opioid receptor	0.0125	0.0582	0.0582
Echinococcus granulosus	g protein coupled receptor	0.0125	0.0582	0.0582
Brugia malayi	G-protein coupled receptor	0.0125	0.0582	0.0582
Echinococcus granulosus	biogenic amine 5HT receptor	0.0125	0.0582	0.0582
Brugia malayi	hypothetical protein	0.0125	0.0582	0.0582
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0125	0.0582	0.0582
Brugia malayi	Dopamine receptor protein 1	0.0125	0.0582	0.0582
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0026	0	0.5
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0125	0.0582	0.0582
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0125	0.0582	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Loa Loa (eye worm)	G-protein coupled receptor	0.0125	0.0582	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0222	0.0222
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0125	0.0582	0.0582
Schistosoma mansoni	amine GPCR	0.0125	0.0582	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0125	0.0582	0.0582
Brugia malayi	GnHR receptor homolog	0.0125	0.0582	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Leishmania major	beta tubulin	0.0048	0.0129	0.3451
Echinococcus multilocularis	serotonin receptor	0.0125	0.0582	0.0582
Echinococcus multilocularis	beta tubulin	0.0048	0.0129	0.0129
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0026	0	0.5
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0026	0	0.5
Brugia malayi	ORL1-like opioid receptor	0.0125	0.0582	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Schistosoma mansoni	opsin-like receptor	0.0125	0.0582	0.0582
Echinococcus granulosus	Tubulin beta 2C chain	0.0048	0.0129	0.0129
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0125	0.0582	0.0582
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0125	0.0582	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0125	0.0582	0.0582
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0125	0.0582	0.0582
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0125	0.0582	0.0582
Brugia malayi	beta-tubulin, identical	0.0048	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Echinococcus multilocularis	neuropeptide receptor A26	0.0125	0.0582	0.0582
Loa Loa (eye worm)	tubulin beta-4 chain	0.0048	0.0129	0.0129
Schistosoma mansoni	neuropeptide F-like receptor	0.0125	0.0582	0.0582
Brugia malayi	Dopamine receptor protein 2	0.0125	0.0582	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0125	0.0582	0.0582
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0073	0.0279	0.0279
Echinococcus granulosus	tubulin subunit beta	0.0048	0.0129	0.0129
Echinococcus multilocularis	tubulin subunit beta	0.0048	0.0129	0.0129
Echinococcus multilocularis	neuropeptides capa receptor	0.0125	0.0582	0.0582
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0125	0.0582	0.0582
Trypanosoma cruzi	beta tubulin, putative	0.0048	0.0129	0.3451
Loa Loa (eye worm)	cytochrome P450 family protein	0.0089	0.0373	0.0373
Brugia malayi	follicle stimulating hormone receptor	0.0125	0.0582	0.0582
Brugia malayi	Dopamine receptor	0.0125	0.0582	0.0582
Brugia malayi	hypothetical protein	0.0125	0.0582	0.0582
Echinococcus multilocularis	Tubulin beta 2C chain	0.0048	0.0129	0.0129
Echinococcus granulosus	7tm_1 domain containing protein	0.0125	0.0582	0.0582
Loa Loa (eye worm)	tubulin beta chain	0.0048	0.0129	0.0129
Brugia malayi	G-protein coupled receptor	0.0125	0.0582	0.0582
Echinococcus multilocularis	neuropeptide Y receptor	0.0125	0.0582	0.0582
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0125	0.0582	0.0582
Echinococcus granulosus	rhodopsin orphan GPCR	0.0125	0.0582	0.0582
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0125	0.0582	0.0582
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0125	0.0582	0.0582
Echinococcus multilocularis	neuropeptides capa receptor	0.0125	0.0582	0.0582
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0026	0	0.5
Schistosoma mansoni	voltage-gated potassium channel	0.008	0.0318	0.0318
Echinococcus multilocularis	Tubulin beta 2C chain	0.0048	0.0129	0.0129
Brugia malayi	Tubulin beta-1 chain	0.0048	0.0129	0.0129
Schistosoma mansoni	amine GPCR	0.0125	0.0582	0.0582
Schistosoma mansoni	neuropeptide receptor	0.0125	0.0582	0.0582
Schistosoma mansoni	hypothetical protein	0.0125	0.0582	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Leishmania major	beta tubulin	0.0048	0.0129	0.3451
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0026	0	0.5
Leishmania major	beta tubulin	0.0048	0.0129	0.3451
Leishmania major	beta tubulin	0.0048	0.0129	0.3451
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0125	0.0582	0.0582
Echinococcus granulosus	rhodopsin orphan GPCR	0.0125	0.0582	0.0582
Brugia malayi	hypothetical protein	0.0125	0.0582	0.0582
Brugia malayi	G protein-coupled receptor	0.0125	0.0582	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0026	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Leishmania major	beta tubulin	0.0048	0.0129	0.3451
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0125	0.0582	0.0582
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0026	0	0.5
Schistosoma mansoni	adenoreceptor	0.0125	0.0582	0.0582
Brugia malayi	hypothetical protein	0.0125	0.0582	0.0582
Brugia malayi	hypothetical protein	0.0125	0.0582	0.0582
Leishmania major	beta tubulin	0.0048	0.0129	0.3451
Echinococcus granulosus	rhodopsin orphan GPCR	0.0125	0.0582	0.0582
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0026	0	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0125	0.0582	0.0582
Echinococcus multilocularis	beta tubulin	0.0048	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0125	0.0582	0.0582
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0125	0.0582	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Schistosoma mansoni	histamine h1 receptor	0.0125	0.0582	0.0582
Echinococcus granulosus	G protein coupled receptor 139	0.0125	0.0582	0.0582
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0125	0.0582	0.0582
Entamoeba histolytica	tubulin family protein	0.0048	0.0129	0.5
Echinococcus granulosus	fmrfamide receptor	0.0125	0.0582	0.0582
Echinococcus granulosus	somatostatin receptor	0.0125	0.0582	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0073	0.0279	0.0279
Brugia malayi	Serotonin receptor	0.0125	0.0582	0.0582
Schistosoma mansoni	ceramide glucosyltransferase	0.1733	1	1
Schistosoma mansoni	amine GPCR	0.0125	0.0582	0.0582
Leishmania major	beta tubulin	0.0048	0.0129	0.3451
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Toxoplasma gondii	beta tubulin	0.0048	0.0129	1
Loa Loa (eye worm)	G-protein coupled receptor	0.0125	0.0582	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Brugia malayi	Serotonin receptor	0.0125	0.0582	0.0582
Trypanosoma brucei	beta tubulin	0.0048	0.0129	0.3451
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0125	0.0582	0.0582
Trypanosoma brucei	beta tubulin	0.0048	0.0129	0.3451
Echinococcus granulosus	neuropeptide receptor	0.0125	0.0582	0.0582
Loa Loa (eye worm)	BEN-1 protein	0.0048	0.0129	0.0129
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0125	0.0582	0.0582
Echinococcus granulosus	allatostatin A receptor	0.0125	0.0582	0.0582
Schistosoma mansoni	hypothetical protein	0.0125	0.0582	0.0582
Echinococcus granulosus	g-protein coupled receptor	0.0125	0.0582	0.0582
Schistosoma mansoni	biogenic amine receptor	0.0125	0.0582	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Brugia malayi	hypothetical protein	0.0125	0.0582	0.0582
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0125	0.0582	0.0582
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0125	0.0582	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0048	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0125	0.0582	0.0582
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0125	0.0582	0.0582
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0125	0.0582	0.0582
Schistosoma mansoni	tubulin subunit beta	0.0048	0.0129	0.0129
Leishmania major	beta tubulin	0.0048	0.0129	0.3451
Echinococcus granulosus	serotonin receptor	0.0125	0.0582	0.0582
Echinococcus granulosus	tm gpcr rhodopsin	0.0125	0.0582	0.0582
Toxoplasma gondii	beta-1 tubulin, putative	0.0048	0.0129	1
Brugia malayi	hypothetical protein	0.0125	0.0582	0.0582
Echinococcus multilocularis	dro:myosuppressin receptor	0.0125	0.0582	0.0582
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0026	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Echinococcus granulosus	biogenic amine 5HT receptor	0.0125	0.0582	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Schistosoma mansoni	voltage-gated potassium channel	0.008	0.0318	0.0318
Brugia malayi	hypothetical protein	0.0125	0.0582	0.0582
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0125	0.0582	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Echinococcus granulosus	tubulin beta 4A class IVa	0.0048	0.0129	0.0129
Echinococcus multilocularis	tubulin beta 1 chain	0.0048	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Echinococcus multilocularis	fmrfamide receptor	0.0125	0.0582	0.0582
Brugia malayi	putative neuropeptide receptor	0.0125	0.0582	0.0582
Echinococcus granulosus	rhodopsin orphan GPCR	0.0125	0.0582	0.0582
Brugia malayi	sulfakinin receptor protein	0.0125	0.0582	0.0582
Schistosoma mansoni	amine GPCR	0.0125	0.0582	0.0582
Giardia lamblia	Ceramide glucosyltransferase	0.0786	0.4451	1
Schistosoma mansoni	opsin-like receptor	0.0125	0.0582	0.0582
Brugia malayi	RE15519p	0.0125	0.0582	0.0582
Echinococcus granulosus	neuropeptide receptor	0.0125	0.0582	0.0582
Schistosoma mansoni	opsin-like receptor	0.0125	0.0582	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Schistosoma mansoni	neuropeptide F-like receptor	0.0125	0.0582	0.0582
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0125	0.0582	0.0582
Plasmodium falciparum	tubulin beta chain	0.0048	0.0129	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0125	0.0582	0.0582
Echinococcus granulosus	neuropeptide s receptor	0.0125	0.0582	0.0582
Echinococcus granulosus	neuropeptide Y receptor	0.0125	0.0582	0.0582
Toxoplasma gondii	beta-tubulin, putative	0.0048	0.0129	1
Schistosoma mansoni	hypothetical protein	0.0125	0.0582	0.0582
Schistosoma mansoni	tubulin subunit beta	0.0048	0.0129	0.0129
Echinococcus granulosus	neuropeptide receptor A26	0.0125	0.0582	0.0582
Mycobacterium leprae	Conserved hypothetical protein	0.0026	0	0.5
Entamoeba histolytica	tubulin family protein	0.0048	0.0129	0.5
Echinococcus granulosus	Tubulin beta 2C chain	0.0048	0.0129	0.0129
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0125	0.0582	0.0582
Echinococcus multilocularis	neuropeptide s receptor	0.0125	0.0582	0.0582
Echinococcus multilocularis	neuropeptide Y receptor	0.0125	0.0582	0.0582
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0026	0	0.5
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0125	0.0582	0.0582
Brugia malayi	neuropeptide F receptor	0.0125	0.0582	0.0582
Loa Loa (eye worm)	tubulin beta-1 chain	0.0048	0.0129	0.0129
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0026	0	0.5
Echinococcus multilocularis	sex peptide receptor	0.0125	0.0582	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0125	0.0582	0.0582
Loa Loa (eye worm)	neuropeptide F receptor	0.0125	0.0582	0.0582
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0026	0	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0125	0.0582	0.0582
Echinococcus granulosus	7TM GPCR rhodopsin	0.0125	0.0582	0.0582
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0125	0.0582	0.0582
Echinococcus multilocularis	neuropeptide receptor	0.0125	0.0582	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Echinococcus multilocularis	g protein coupled receptor	0.0125	0.0582	0.0582
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0125	0.0582	0.0582
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0026	0	0.5
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0125	0.0582	0.0582
Mycobacterium leprae	putative cytochrome p450	0.0026	0	0.5
Schistosoma mansoni	neuropeptide receptor	0.0125	0.0582	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Echinococcus granulosus	Tubulin beta 2C chain	0.0048	0.0129	0.0129
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0125	0.0582	0.0582
Echinococcus multilocularis	g protein coupled receptor	0.0125	0.0582	0.0582
Leishmania major	cytochrome p450-like protein	0.0089	0.0373	1
Echinococcus multilocularis	somatostatin receptor	0.0125	0.0582	0.0582
Schistosoma mansoni	tubulin subunit beta	0.0048	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Schistosoma mansoni	hypothetical protein	0.0125	0.0582	0.0582
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0068	0.0251	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0125	0.0582	0.0582
Brugia malayi	neuropeptide F receptor	0.0125	0.0582	0.0582
Echinococcus granulosus	tubulin beta 1 chain	0.0048	0.0129	0.0129
Echinococcus granulosus	orexin receptor type 2	0.0125	0.0582	0.0582
Echinococcus granulosus	Tubulin beta 2C chain	0.0048	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0125	0.0582	0.0582
Echinococcus granulosus	ceramide glucosyltransferase	0.1733	1	1
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0125	0.0582	0.0582
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0026	0	0.5
Schistosoma mansoni	neuropeptide f receptor 76f	0.0125	0.0582	0.0582
Brugia malayi	Melatonin receptor type 1A	0.0125	0.0582	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Onchocerca volvulus	Ceramide glucosyltransferase homolog	0.1733	1	1
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Loa Loa (eye worm)	melatonin receptor type 1A	0.0125	0.0582	0.0582
Echinococcus granulosus	tm gpcr rhodopsin	0.0125	0.0582	0.0582
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0026	0	0.5
Loa Loa (eye worm)	CYP4Cod1	0.0089	0.0373	0.0373
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0125	0.0582	0.0582
Echinococcus multilocularis	ceramide glucosyltransferase	0.1733	1	1
Schistosoma mansoni	ceramide glucosyltransferase	0.1733	1	1
Leishmania major	beta tubulin	0.0048	0.0129	0.3451
Echinococcus granulosus	g protein coupled receptor	0.0125	0.0582	0.0582
Schistosoma mansoni	biogenic amine receptor	0.0125	0.0582	0.0582
Leishmania major	beta tubulin	0.0048	0.0129	0.3451
Echinococcus granulosus	beta tubulin	0.0048	0.0129	0.0129
Leishmania major	beta tubulin	0.0048	0.0129	0.3451
Echinococcus granulosus	Tubulin beta 2C chain	0.0048	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Loa Loa (eye worm)	cytochrome P450 family protein	0.0089	0.0373	0.0373
Echinococcus multilocularis	orexin receptor type 2	0.0125	0.0582	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Trypanosoma brucei	cytochrome P450, putative	0.0089	0.0373	1
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0026	0	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0125	0.0582	0.0582
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0125	0.0582	0.0582
Plasmodium vivax	tubulin beta chain, putative	0.0048	0.0129	0.5
Brugia malayi	Cytochrome P450 family protein	0.0089	0.0373	0.0373
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0073	0.0279	0.0279
Brugia malayi	hypothetical protein	0.0125	0.0582	0.0582
Brugia malayi	hypothetical protein	0.0125	0.0582	0.0582
Schistosoma mansoni	myosin xvIII	0.0125	0.0582	0.0582
Leishmania major	beta tubulin	0.0048	0.0129	0.3451
Trypanosoma brucei	beta tubulin	0.0048	0.0129	0.3451
Leishmania major	beta tubulin	0.0048	0.0129	0.3451
Schistosoma mansoni	neuropeptide receptor	0.0125	0.0582	0.0582
Loa Loa (eye worm)	TYRA-2 protein	0.0125	0.0582	0.0582
Loa Loa (eye worm)	neuropeptide F receptor	0.0125	0.0582	0.0582
Leishmania major	beta tubulin	0.0048	0.0129	0.3451
Loa Loa (eye worm)	beta-tubulin	0.0048	0.0129	0.0129
Echinococcus multilocularis	Tubulin beta 2C chain	0.0048	0.0129	0.0129
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0125	0.0582	0.0582
Brugia malayi	putative neuropeptide receptor NPR1	0.0125	0.0582	0.0582
Echinococcus multilocularis	neuropeptide receptor	0.0125	0.0582	0.0582
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0073	0.0279	0.0279
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0125	0.0582	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0222	0.0222
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0125	0.0582	0.0582
Schistosoma mansoni	amine GPCR	0.0125	0.0582	0.0582
Schistosoma mansoni	tubulin subunit beta	0.0048	0.0129	0.0129
Echinococcus granulosus	neuropeptides capa receptor	0.0125	0.0582	0.0582
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0125	0.0582	0.0582
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0125	0.0582	0.0582
Leishmania major	beta tubulin	0.0048	0.0129	0.3451
Schistosoma mansoni	neuropeptide receptor	0.0125	0.0582	0.0582
Echinococcus granulosus	neuropeptides capa receptor	0.0125	0.0582	0.0582
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0125	0.0582	0.0582
Leishmania major	beta tubulin	0.0048	0.0129	0.3451
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0125	0.0582	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Echinococcus granulosus	neuropeptide FF receptor 2	0.0125	0.0582	0.0582
Loa Loa (eye worm)	tubulin beta-2A chain	0.0048	0.0129	0.0129
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0125	0.0582	0.0582
Echinococcus granulosus	hypothetical protein	0.0125	0.0582	0.0582
Echinococcus granulosus	neuropeptide Y receptor	0.0125	0.0582	0.0582
Echinococcus multilocularis	fmrfamide receptor	0.0125	0.0582	0.0582
Loa Loa (eye worm)	BEN-1 protein	0.0048	0.0129	0.0129
Trypanosoma brucei	beta tubulin	0.0048	0.0129	0.3451
Schistosoma mansoni	biogenic amine receptor	0.0125	0.0582	0.0582
Loa Loa (eye worm)	ceramide glucosyltransferase	0.1733	1	1
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0089	0.0373	1
Echinococcus multilocularis	allatostatin A receptor	0.0125	0.0582	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Echinococcus granulosus	rhodopsin orphan GPCR	0.0125	0.0582	0.0582
Echinococcus granulosus	tm gpcr rhodopsin	0.0125	0.0582	0.0582
Echinococcus granulosus	sex peptide receptor	0.0125	0.0582	0.0582
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0125	0.0582	0.0582
Brugia malayi	Cytochrome P450 family protein	0.0089	0.0373	0.0373
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0125	0.0582	0.0582
Echinococcus multilocularis	Tubulin beta 2C chain	0.0048	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0068	0.0251	1
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0125	0.0582	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0582	0.0582
Schistosoma mansoni	growth hormone secretagogue receptor	0.0125	0.0582	0.0582
Echinococcus multilocularis	Tubulin beta 2C chain	0.0048	0.0129	0.0129
Echinococcus multilocularis	g protein coupled receptor	0.0125	0.0582	0.0582
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0026	0	0.5
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0125	0.0582	0.0582

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 4.7 mg kg-1	Effective dose required for anxiolytic activity in mice when administered perorally (Antipentylene tetrazole test)	ChEMBL.	6138436
ED50 (functional)	= 4.7 mg kg-1	Effective dose required for anxiolytic activity in mice when administered perorally (Antipentylene tetrazole test)	ChEMBL.	6138436
ED50 (functional)	= 24 mg kg-1	Effective dose required for anxiolytic activity in mice when administered perorally (Rotarod test)	ChEMBL.	6138436
ED50 (functional)	= 24 mg kg-1	Effective dose required for anxiolytic activity in mice when administered perorally (Rotarod test)	ChEMBL.	6138436
ED50 (functional)	> 400 mg kg-1	Effective dose required for anxiolytic activity in mice when administered perorally (Inclined screen test)	ChEMBL.	6138436
ED50 (functional)	> 400 mg kg-1	Effective dose required for anxiolytic activity in mice when administered perorally (Inclined screen test)	ChEMBL.	6138436
IC50 (binding)	= 5.3 nM	Binding affinity measured by [3H]-diazepam binding assay in rat	ChEMBL.	6138436
IC50 (binding)	= 5.3 nM	Binding affinity measured by [3H]-diazepam binding assay in rat	ChEMBL.	6138436

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: CHEMBL289774
PubChem: 13225515

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 55646