TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 712.844 | Formula: C34H36N10O4S2
H donors: 6 H acceptors: 5 LogP: 2.51 Rotable bonds: 17
Rule of 5 violations (Lipinski): 3
SMILES: O=C(CNC(=O)CN1C(=O)C(NC(=O)Nc2cccc(c2)C)N=C(c2c1cccc2)c1ccccc1)NCCSCc1csc(n1)N=C(N)N
InChi: 1S/C34H36N10O4S2/c1-21-8-7-11-23(16-21)39-33(48)42-30-31(47)44(26-13-6-5-12-25(26)29(41-30)22-9-3-2-4-10-22)18-28(46)38-17-27(45)37-14-15-49-19-24-20-50-34(40-24)43-32(35)36/h2-13,16,20,30H,14-15,17-19H2,1H3,(H,37,45)(H,38,46)(H2,39,42,48)(H4,35,36,40,43)
InChiKey: HTNVOFNARQMQGV-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
Mus musculus	cholecystokinin A receptor	Starlite/ChEMBL	No references
Mus musculus	cholecystokinin B receptor	Starlite/ChEMBL	No references
Homo sapiens	cholecystokinin B receptor	Starlite/ChEMBL	No references
Rattus norvegicus	Histamine H2 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Alpha-1D adrenergic receptor, putative	Get druggable targets OG5_128924	All targets in OG5_128924
Brugia malayi	hypothetical protein	Get druggable targets OG5_132882	All targets in OG5_132882
Brugia malayi	sulfakinin receptor protein	Get druggable targets OG5_132882	All targets in OG5_132882
Schistosoma mansoni	amine GPCR	Get druggable targets OG5_128924	All targets in OG5_128924
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Get druggable targets OG5_128924	All targets in OG5_128924
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132882	All targets in OG5_132882

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Onchocerca volvulus	Cyclin-dependent kinase 20 homolog	Histamine H2 receptor	358 aa	343 aa	21.6 %
Echinococcus granulosus	allatostatin A receptor	Histamine H2 receptor	358 aa	389 aa	22.4 %
Echinococcus granulosus	thyrotropin releasing hormone receptor	Histamine H2 receptor	358 aa	343 aa	24.5 %
Schistosoma japonicum	Rhodopsin, putative	Histamine H2 receptor	358 aa	344 aa	22.1 %
Schistosoma japonicum	ko:K04134 cholinergic receptor, invertebrate, putative	Histamine H2 receptor	358 aa	324 aa	27.8 %
Echinococcus granulosus	growth hormone secretagogue receptor type 1	Histamine H2 receptor	358 aa	307 aa	25.7 %
Schistosoma mansoni	neuropeptide F-like receptor	Histamine H2 receptor	358 aa	293 aa	21.2 %
Onchocerca volvulus	E3 ubiquitin-protein ligase rpm-1 homolog	Histamine H2 receptor	358 aa	287 aa	23.0 %
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	Histamine H2 receptor	358 aa	368 aa	32.1 %
Onchocerca volvulus		Histamine H2 receptor	358 aa	301 aa	21.9 %
Onchocerca volvulus		Histamine H2 receptor	358 aa	302 aa	21.9 %
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	Histamine H2 receptor	358 aa	308 aa	25.0 %
Schistosoma mansoni	peptide (allatostatin)-like receptor	Histamine H2 receptor	358 aa	330 aa	23.6 %
Echinococcus multilocularis	neuropeptide receptor	Histamine H2 receptor	358 aa	297 aa	22.6 %
Echinococcus multilocularis	thyrotropin releasing hormone receptor	Histamine H2 receptor	358 aa	333 aa	24.6 %
Onchocerca volvulus	Ubiquinol-cytochrome-c reductase complex assembly factor 1 homolog	Histamine H2 receptor	358 aa	302 aa	20.2 %
Schistosoma mansoni	adenoreceptor	Histamine H2 receptor	358 aa	320 aa	27.8 %
Onchocerca volvulus		Histamine H2 receptor	358 aa	372 aa	23.4 %
Onchocerca volvulus		Histamine H2 receptor	358 aa	327 aa	25.1 %
Onchocerca volvulus		Histamine H2 receptor	358 aa	306 aa	21.6 %
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Histamine H2 receptor	358 aa	327 aa	23.5 %
Brugia malayi	GnHR receptor homolog	Histamine H2 receptor	358 aa	291 aa	20.3 %
Echinococcus granulosus	neuropeptide receptor	Histamine H2 receptor	358 aa	291 aa	22.3 %
Loa Loa (eye worm)	neuropeptide F receptor	Histamine H2 receptor	358 aa	290 aa	23.1 %
Schistosoma mansoni	biogenic amine (5HT) receptor	Histamine H2 receptor	358 aa	390 aa	30.5 %
Schistosoma mansoni	opsin-like receptor	Histamine H2 receptor	358 aa	287 aa	22.3 %
Loa Loa (eye worm)	hypothetical protein	Histamine H2 receptor	358 aa	334 aa	24.6 %
Onchocerca volvulus		Histamine H2 receptor	358 aa	341 aa	32.3 %
Echinococcus multilocularis	allatostatin A receptor	Histamine H2 receptor	358 aa	367 aa	22.3 %
Brugia malayi	ORL1-like opioid receptor	Histamine H2 receptor	358 aa	293 aa	24.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0635	0.4085
Schistosoma mansoni	nuclear receptor	0.0295	0.0635	0.1516
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0626	0.1555	1
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0635	0.4085
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0626	0.1555	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0331	0.0734	0.4369
Onchocerca volvulus		0.0295	0.0635	0.3694
Echinococcus granulosus	cdgsh iron sulfur domain containing protein	0.0239	0.0479	0.1508
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0626	0.1555	1
Plasmodium vivax	chorismate synthase	0.3663	1	0.5
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0626	0.1555	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0626	0.1555	1
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0295	0.0635	0.1516
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0635	0.4085
Mycobacterium ulcerans	chorismate synthase	0.3663	1	1
Loa Loa (eye worm)	hypothetical protein	0.025	0.0508	0.3264
Loa Loa (eye worm)	hypothetical protein	0.0331	0.0734	0.4718
Brugia malayi	hypothetical protein	0.0331	0.0734	0.4369
Toxoplasma gondii	chorismate synthase, putative	0.3663	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0626	0.1555	1
Brugia malayi	Steroid receptor seven-up type 2	0.0626	0.1555	1
Brugia malayi	nuclear receptor NHR-88	0.0295	0.0635	0.3694
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0626	0.1555	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0626	0.1555	1
Brugia malayi	ecdysteroid receptor	0.0626	0.1555	1
Chlamydia trachomatis	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	0.0203	0.0378	0.0208
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0295	0.0635	0.2745
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0295	0.0635	0.2745
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0295	0.0635	0.2745
Treponema pallidum	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	0.0203	0.0378	0.5
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0295	0.0635	0.2745
Loa Loa (eye worm)	steroid hormone receptor	0.0626	0.1555	1
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0635	0.4085
Brugia malayi	Nuclear hormone receptor E75	0.0295	0.0635	0.3694
Mycobacterium leprae	Chorismate synthase AroF (5-enolpyruvylshikimate-3-phosphate phospholyase).	0.1806	0.4837	1
Mycobacterium ulcerans	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	0.0203	0.0378	0.0208
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0096	0.062
Chlamydia trachomatis	phosphoshikimate 1-carboxyl vinyltransferase	0.0332	0.0738	0.0574
Schistosoma mansoni	CDGSH-type Zn finger-containing protein-like protein	0.0253	0.0519	0.1162
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0626	0.1555	0.4304
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0626	0.1555	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0626	0.1555	1
Loa Loa (eye worm)	hypothetical protein	0.0626	0.1555	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0626	0.1555	1
Echinococcus multilocularis	cdgsh iron sulfur domain containing protein	0.0239	0.0479	0.1508
Brugia malayi	Amyloid A4 extracellular domain containing protein	0.0317	0.0694	0.4098
Loa Loa (eye worm)	hypothetical protein	0.0626	0.1555	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0626	0.1555	1
Echinococcus granulosus	FTZ F1 alpha	0.0626	0.1555	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0626	0.1555	0.4304
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0626	0.1555	1
Schistosoma mansoni	hypothetical protein	0.0253	0.0519	0.1162
Loa Loa (eye worm)	hypothetical protein	0.0626	0.1555	1
Schistosoma mansoni	hypothetical protein	0.017	0.0287	0.0462
Onchocerca volvulus		0.0295	0.0635	0.3694
Echinococcus multilocularis	FTZ F1 alpha	0.0626	0.1555	1
Onchocerca volvulus		0.0626	0.1555	1
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0635	0.4085
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0626	0.1555	0.4304
Loa Loa (eye worm)	hypothetical protein	0.0282	0.0599	0.3852
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0596	0.1471	0.132
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0295	0.0635	0.3694
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0635	0.4085
Brugia malayi	orphan nuclear receptor NR2E1	0.0295	0.0635	0.3694
Brugia malayi	hypothetical protein	0.0295	0.0635	0.3694
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0635	0.4085
Loa Loa (eye worm)	hypothetical protein	0.0331	0.0734	0.4718
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0626	0.1555	1
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0596	0.1471	0.132
Loa Loa (eye worm)	hypothetical protein	0.0626	0.1555	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0626	0.1555	1
Loa Loa (eye worm)	hypothetical protein	0.0331	0.0734	0.4718
Loa Loa (eye worm)	hypothetical protein	0.0626	0.1555	1
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0635	0.4085
Plasmodium falciparum	chorismate synthase	0.3663	1	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0626	0.1555	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0626	0.1555	1
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0295	0.0635	0.2745
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0626	0.1555	1
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.0554	0.1354	0.2531
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0626	0.1555	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0626	0.1555	1
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0295	0.0635	0.1516
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0626	0.1555	1
Loa Loa (eye worm)	hypothetical protein	0.0626	0.1555	1
Schistosoma mansoni	amine GPCR	0.1302	0.3435	1
Loa Loa (eye worm)	hypothetical protein	0.0331	0.0734	0.4718
Brugia malayi	ecdysone receptor	0.0295	0.0635	0.3694
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0635	0.4085
Schistosoma mansoni	3-dehydroquinate synthase	0.0129	0.0174	0.0117
Schistosoma mansoni	nuclear receptor	0.0295	0.0635	0.1516
Brugia malayi	hypothetical protein	0.0282	0.0599	0.3445
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0626	0.1555	1
Brugia malayi	hypothetical protein	0.0295	0.0635	0.3694
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0626	0.1555	1
Echinococcus granulosus	macrophage colony stimulating factor 1 receptor	0.0535	0.1301	0.7991
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0635	0.4085
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0626	0.1555	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0626	0.1555	1
Wolbachia endosymbiont of Brugia malayi	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	0.0203	0.0378	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0626	0.1555	1
Echinococcus granulosus	nuclear receptor nhr 48	0.0295	0.0635	0.2745
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0626	0.1555	1
Brugia malayi	sulfakinin receptor protein	0.0282	0.0599	0.3445
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0626	0.1555	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0626	0.1555	0.4304
Brugia malayi	steroid hormone receptor	0.0626	0.1555	1
Loa Loa (eye worm)	nuclear hormone receptor	0.0295	0.0635	0.4085
Brugia malayi	nuclear receptor NHR-67	0.0295	0.0635	0.3694
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0626	0.1555	1
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0295	0.0635	0.3694
Mycobacterium tuberculosis	Probable chorismate synthase AroF (5-enolpyruvylshikimate-3-phosphate phospholyase)	0.1806	0.4837	1
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0635	0.4085
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0626	0.1555	0.4304
Brugia malayi	nuclear hormone receptor	0.0626	0.1555	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0626	0.1555	1
Loa Loa (eye worm)	hypothetical protein	0.0331	0.0734	0.4718
Brugia malayi	nuclear receptor RXR	0.0295	0.0635	0.3694
Schistosoma mansoni	coup transcription factor	0.0626	0.1555	0.4304
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0635	0.4085
Schistosoma mansoni	RAR-like nuclear receptor	0.0626	0.1555	0.4304
Schistosoma mansoni	nuclear hormone receptor	0.0295	0.0635	0.1516
Echinococcus granulosus	ecdysone induced protein 78C	0.0626	0.1555	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0626	0.1555	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0626	0.1555	1
Onchocerca volvulus	Bile acid receptor homolog	0.0626	0.1555	1
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0295	0.0635	0.4085
Brugia malayi	tailless protein	0.0295	0.0635	0.3694
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0295	0.0635	0.2745
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0626	0.1555	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0331	0.0734	0.1815
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0295	0.0635	0.3694
Loa Loa (eye worm)	DR-78	0.0295	0.0635	0.4085
Brugia malayi	Nuclear hormone receptor E75	0.0295	0.0635	0.3694
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0295	0.0635	0.4085
Mycobacterium ulcerans	3-phosphoshikimate 1-carboxyvinyltransferase	0.0332	0.0738	0.0574
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0626	0.1555	1
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0331	0.0734	0.3522
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0626	0.1555	1
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0295	0.0635	0.3694
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0331	0.0734	0.1815
Schistosoma mansoni	thyroid hormone receptor	0.0626	0.1555	0.4304
Schistosoma mansoni	hypothetical protein	0.017	0.0287	0.0462
Echinococcus granulosus	thyroid hormone receptor alpha	0.0295	0.0635	0.2745
Brugia malayi	conserved hypotetical protein	0.0295	0.0635	0.3694
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0295	0.0635	0.2745
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0635	0.4085
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0295	0.0635	0.2745
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0295	0.0635	0.2745
Brugia malayi	hypothetical protein	0.0331	0.0734	0.4369
Mycobacterium leprae	probable 3-phosphoshikimate 1-carboxyvinyl transferase AroA (5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE) (EPSP SYNTHASE) (EPSPS	0.0332	0.0738	0.1211
Echinococcus multilocularis	nuclear receptor nhr 48	0.0295	0.0635	0.2745
Schistosoma mansoni	nuclear hormone receptor	0.0626	0.1555	0.4304
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0187	0.12
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0331	0.0734	0.4718
Schistosoma mansoni	nuclear receptor nhr-48	0.0295	0.0635	0.1516
Schistosoma mansoni	zinc finger protein	0.0295	0.0635	0.1516
Loa Loa (eye worm)	hypothetical protein	0.0626	0.1555	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0331	0.0734	0.3522
Brugia malayi	nuclear receptor RXR	0.0331	0.0734	0.4369
Brugia malayi	Nuclear hormone receptor-like 1	0.0331	0.0734	0.4369
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0626	0.1555	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0626	0.1555	0.4304
Schistosoma mansoni	nuclear hormone receptor	0.0295	0.0635	0.1516
Brugia malayi	nuclear hormone receptor	0.0295	0.0635	0.3694
Brugia malayi	nuclear hormone receptor family member odr-7	0.0295	0.0635	0.3694
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0626	0.1555	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0626	0.1555	1
Schistosoma mansoni	thyroid hormone receptor	0.0626	0.1555	0.4304
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0626	0.1555	0.4304
Loa Loa (eye worm)	hypothetical protein	0.0626	0.1555	1
Brugia malayi	nuclear receptor NHR-88	0.0626	0.1555	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0626	0.1555	0.4304
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0626	0.1555	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 370 nM	Inhibitory activity against gastrin receptor	ChEMBL.	No reference
IC50 (binding)	= 370 nM	Inhibitory activity against gastrin receptor	ChEMBL.	No reference
IC50 (binding)	= 760 nM	Inhibitory activity against Cholecystokinin type A receptor	ChEMBL.	No reference
IC50 (binding)	= 760 nM	Inhibitory activity against Cholecystokinin type A receptor	ChEMBL.	No reference
IC50 (binding)	= 6800 nM	Inhibitory activity against Cholecystokinin type B receptor	ChEMBL.	No reference
IC50 (binding)	= 6800 nM	Inhibitory activity against Cholecystokinin type B receptor	ChEMBL.	No reference
Kd (functional)	= 5.4	Antagonistic activity for inhibition of histamine H2 receptor from anesthetized rats	ChEMBL.	No reference
pA2 (functional)	= 5.4	Antagonistic activity for inhibition of histamine H2 receptor from anesthetized rats	ChEMBL.	No reference
Ratio (binding)	= 2.1	Ratio of IC50(gastrin) to IC50(CCK-A)	ChEMBL.	No reference
Ratio (binding)	= 2.1	Ratio of IC50(gastrin) to IC50(CCK-A)	ChEMBL.	No reference

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: CHEMBL281082

Bibliographic References

No literature references available for this target.

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Detailed information for compound 41931