TDR Targets

Basic information

Technical information

TDR Targets ID: 65204
Name: 2-amino-N-[(3R)-1-[[4-[2-[(ethylcarbamoylamin o)methyl]phenyl]phenyl]methyl]-2-oxo-4,5-dihy dro-3H-1-benzazepin-3-yl]-2-methylpropanamide
MW: 527.657 | Formula: C31H37N5O3
H donors: 4 H acceptors: 3 LogP: 3.16 Rotable bonds: 11
Rule of 5 violations (Lipinski): 2
SMILES: CCNC(=O)NCc1ccccc1c1ccc(cc1)CN1C(=O)[C@@H](CCc2c1cccc2)NC(=O)C(N)(C)C
InChi: 1S/C31H37N5O3/c1-4-33-30(39)34-19-24-10-5-7-11-25(24)22-15-13-21(14-16-22)20-36-27-12-8-6-9-23(27)17-18-26(28(36)37)35-29(38)31(2,3)32/h5-16,26H,4,17-20,32H2,1-3H3,(H,35,38)(H2,33,34,39)/t26-/m1/s1
InChiKey: PEMDCAKPTROBPS-AREMUKBSSA-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

2-amino-N-[(3R)-1-[[4-[2-[(ethylcarbamoylamino)methyl]phenyl]phenyl]methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-2-methyl-propanamide
2-azanyl-N-[(3R)-1-[[4-[2-[(ethylcarbamoylamino)methyl]phenyl]phenyl]methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-2-methyl-propanamide
2-amino-N-[(3R)-1-[4-[2-[(ethylcarbamoylamino)methyl]phenyl]benzyl]-2-keto-4,5-dihydro-3H-1-benzazepin-3-yl]-2-methyl-propionamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	growth hormone secretagogue receptor	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
Schistosoma mansoni	rhodopsin-like orphan GPCR	growth hormone secretagogue receptor	289 aa	243 aa	23.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0049	0.0109	0.0225
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0049	0.0109	0.0225
Trichomonas vaginalis	glucosylceramidase, putative	0.0173	0.0686	0.2058
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0055	0.0134	0.5
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0049	0.0109	0.2226
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0104	0.0364	0.746
Trichomonas vaginalis	glucosylceramidase, putative	0.0164	0.0645	0.1904
Brugia malayi	Steroid receptor seven-up type 2	0.0049	0.0109	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0109	0.0225
Brugia malayi	nuclear receptor NHR-88	0.0049	0.0109	0.0225
Schistosoma mansoni	tar DNA-binding protein	0.0131	0.0488	1
Schistosoma mansoni	tar DNA-binding protein	0.0131	0.0488	1
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0055	0.0134	0.5
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.063	0.2816	1
Echinococcus multilocularis	FTZ F1 alpha	0.0049	0.0109	0.0249
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0961	0.4362	1
Treponema pallidum	fructose-bisphosphate aldolase	0.063	0.2816	0.5
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.0153	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.063	0.2816	0.5
Brugia malayi	steroid hormone receptor	0.0049	0.0109	0.0225
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0049	0.0109	0.2226
Loa Loa (eye worm)	RNA binding protein	0.0131	0.0488	0.1011
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.0153	0.0351
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0153	0.3135
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0049	0.0109	0.0249
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0049	0.0109	0.0225
Trichomonas vaginalis	glucosylceramidase, putative	0.0164	0.0645	0.1904
Brugia malayi	ecdysteroid receptor	0.0049	0.0109	0.0225
Echinococcus multilocularis	mitogen activated protein kinase	0.0055	0.0134	0.0307
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0049	0.0109	0.0249
Echinococcus granulosus	mitogen activated protein kinase	0.0055	0.0134	0.2746
Echinococcus granulosus	ecdysone induced protein 78C	0.0049	0.0109	0.2226
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0049	0.0109	0.0225
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0049	0.0109	0.2226
Trichomonas vaginalis	conserved hypothetical protein	0.0514	0.2274	0.7978
Brugia malayi	amidase	0.0104	0.0364	0.0755
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0055	0.0134	0.5
Brugia malayi	photoreceptor-specific nuclear receptor	0.0049	0.0109	0.0225
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0049	0.0109	0.2226
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0308	0.1314	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0049	0.0109	0.0225
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0049	0.0109	0.0225
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0049	0.0109	0.0225
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0131	0.2689
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.1047	0.3402
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0054	0.0131	0.2689
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0049	0.0109	0.0225
Brugia malayi	nuclear hormone receptor	0.1061	0.4825	1
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0104	0.0364	0.0835
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.1047	0.3402
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.1047	0.3402
Schistosoma mansoni	tar DNA-binding protein	0.0131	0.0488	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0049	0.0109	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0109	0.0225
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.063	0.2816	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0049	0.0109	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0129	0.0479	0.0993
Echinococcus multilocularis	ecdysone induced protein 78C	0.0049	0.0109	0.0249
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0308	0.1314	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0049	0.0109	0.2226
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0109	0.0225
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0104	0.0364	0.746
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0049	0.0109	0.2226
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0054	0.0131	0.2689
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0104	0.0364	0.0835
Trichomonas vaginalis	glucosylceramidase, putative	0.0164	0.0645	0.1904
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0054	0.0131	0.0272
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.063	0.2816	0.5
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.063	0.2816	1
Brugia malayi	hypothetical protein	0.0129	0.0479	0.0993
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0049	0.0109	0.0225
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.1061	0.4825	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0049	0.0109	0.0249
Schistosoma mansoni	RAR-like nuclear receptor	0.0049	0.0109	0.2226
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0049	0.0109	0.2226
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.1087	0.4947	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0109	0.0225
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0049	0.0109	0.0225
Giardia lamblia	Fructose-bisphosphate aldolase	0.063	0.2816	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0049	0.0109	0.2226
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0109	0.0225
Brugia malayi	RNA recognition motif domain containing protein	0.0131	0.0488	0.1011
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0049	0.0109	0.0249
Schistosoma mansoni	fatty-acid amide hydrolase	0.0104	0.0364	0.746
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0109	0.0225
Onchocerca volvulus	Huntingtin homolog	0.0129	0.0479	0.0766
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0251	0.1047	0.2169
Brugia malayi	nuclear hormone receptor	0.0049	0.0109	0.0225
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.0153	0.3135
Schistosoma mansoni	thyroid hormone receptor	0.0049	0.0109	0.2226
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0055	0.0134	0.0278
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0049	0.0109	0.2226
Loa Loa (eye worm)	steroid hormone receptor	0.0049	0.0109	0.0225
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.1047	0.3402
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0131	0.2689
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0049	0.0109	0.2226
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0131	0.0488	0.1011
Schistosoma mansoni	tar DNA-binding protein	0.0131	0.0488	1
Trypanosoma brucei	protein kinase, putative	0.0055	0.0134	0.5
Schistosoma mansoni	retinoic acid receptor RXR	0.0049	0.0109	0.2226
Schistosoma mansoni	tar DNA-binding protein	0.0131	0.0488	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0153	0.3135
Brugia malayi	TAR-binding protein	0.0131	0.0488	0.1011
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0364	0.0755
Onchocerca volvulus	Huntingtin homolog	0.0129	0.0479	0.0766
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0109	0.0225
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.063	0.2816	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0109	0.0225
Trichomonas vaginalis	glucosylceramidase, putative	0.0164	0.0645	0.1904
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0049	0.0109	0.2226
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0049	0.0109	0.0225
Schistosoma mansoni	thyroid hormone receptor	0.0049	0.0109	0.2226
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.1047	0.3402
Trichomonas vaginalis	glucosylceramidase, putative	0.0164	0.0645	0.1904
Schistosoma mansoni	serine/threonine protein kinase	0.0055	0.0134	0.2746
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0055	0.0134	0.0307
Onchocerca volvulus	Glucosylceramidase homolog	0.0164	0.0645	0.1108
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0049	0.0109	0.0225
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0049	0.0109	0.0225
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.063	0.2816	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0049	0.0109	0.0225
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0055	0.0134	0.5
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0055	0.0134	0.5
Loa Loa (eye worm)	hypothetical protein	0.1037	0.4716	0.9775
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0049	0.0109	0.0225
Schistosoma mansoni	amidase	0.0104	0.0364	0.746
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.1047	0.3402
Echinococcus granulosus	tar DNA binding protein	0.0131	0.0488	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0049	0.0109	0.2226
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.063	0.2816	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0054	0.0131	0.0301
Loa Loa (eye worm)	TAR-binding protein	0.0131	0.0488	0.1011
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0251	0.1047	0.2169
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.0153	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0049	0.0109	0.2226
Trichomonas vaginalis	glucosylceramidase, putative	0.0173	0.0686	0.2058
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0049	0.0109	0.0225
Trichomonas vaginalis	glucosylceramidase, putative	0.0164	0.0645	0.1904
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.063	0.2816	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0049	0.0109	0.0249
Echinococcus granulosus	mitogen activated protein kinase 3	0.0055	0.0134	0.2746
Loa Loa (eye worm)	hypothetical protein	0.0129	0.0479	0.0993
Brugia malayi	MAP kinase sur-1	0.0055	0.0134	0.0278
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0049	0.0109	0.2226
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0308	0.1314	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0049	0.0109	0.0225
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0131	0.2689
Brugia malayi	RNA binding protein	0.0131	0.0488	0.1011
Trichomonas vaginalis	glucosylceramidase, putative	0.0164	0.0645	0.1904
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0049	0.0109	0.0225
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0049	0.0109	0.0249
Echinococcus granulosus	FTZ F1 alpha	0.0049	0.0109	0.2226
Echinococcus multilocularis	tar DNA binding protein	0.0131	0.0488	0.1119
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0049	0.0109	0.0249
Schistosoma mansoni	coup transcription factor	0.0049	0.0109	0.2226
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0054	0.0131	0.0301
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0054	0.0131	0.0272
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0049	0.0109	0.0225
Schistosoma mansoni	nuclear hormone receptor	0.0049	0.0109	0.2226
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.063	0.2816	1

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	= -8.22	Activity at human GHS-R1a receptor in rat pitutary cells assessed as GH release	ChEMBL.	16722627
EC50 (functional)	= -8.22	Agonist activity at human GHS-R1	ChEMBL.	17329109
EC50 (binding)	= 6 nM	Activity at human GHS-R1a receptor in rat pitutary cells assessed as GH release	ChEMBL.	16722627
EC50 (binding)	= 6 nM	Activity at human GHS-R1a receptor in rat pitutary cells assessed as GH release	ChEMBL.	16722627
EC50 (functional)	= 6 nM	Agonist activity at human GHS-R1	ChEMBL.	17329109
ED50 (functional)	= 6 nM	In vitro growth hormone (GH) releasing activity of the compound in rat primary pituitary cells.	ChEMBL.	9572898
Log EC50 (binding)	= 8.22	Activity at human GHS-R1a receptor in rat pitutary cells assessed as GH release	ChEMBL.	16722627

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: CHEMBL296104
PubChem: 10506325

Bibliographic References

3 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 65204