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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	VIBEGRON
Molecular formula	C26H28N4O3
IUPAC name	(6S)-N-[4-[[(2S,5R)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]phenyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
Molecular weight	444.535
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	1.8
Synonyms	(6S)-N-[4-({(2S,5R)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidin-2-yl}methyl)phenyl]-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxamide CHEMBL2107826 MK4618 vibegronum BDBM50146154 GTPL10100 SCHEMBL11985457 (6S)-4,6,7,8-Tetrahydro-N-[4-[[(2S,5R)-5-[(R)-hydroxyphenylmethyl]-2-pyrrolidinyl]methyl]phenyl]-4-oxo-pyrrolo[1,2-a]pyrimidine-6-carboxamide CHEBI:142418 MK 4618 Vibegron (JAN/USAN) 1190389-15-1 compound 7 [PMID: 26709102] Pyrrolo(1,2-a)pyrimidine-6-carboxamide, 4,6,7,8-tetrahydro-N-(4-(((2S,5R)-5-((R)-hydroxyphenylmethyl)-2-pyrrolidinyl)methyl)phenyl)-4-oxo-, (6S)- Beova KRP-114V UNII-M5TSE03W5U (6S)-N-(4-(((2S,5R)-5-((R)-Hydroxyphenylmethyl)pyrrolidin-2-yl)methyl)phenyl)-4-oxo-4,6,7,8-tetrahydropyrrolo(1,2-a)pyrimidine-6-carboxamide MK-4618 Vibegron [USAN:INN] D10433 SB16922 Beova (TN) M5TSE03W5U [ Show all ]
Inchi Key	DJXRIQMCROIRCZ-XOEOCAAJSA-N
Inchi ID	InChI=1S/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/m0/s1
PubChem CID	44472635
ChEMBL	CHEMBL2107826
IUPHAR	N/A
BindingDB	50146154
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
523348	Beta-1 adrenergic receptor	P08588	ADRB1	Homo sapiens (Human)	477
523344	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413
523343	Beta-3 adrenergic receptor	Q28524	ADRB3	Macaca mulatta (Rhesus macaque)	418
523345	Beta-3 adrenergic receptor	P13945	ADRB3	Homo sapiens (Human)	408
523346	Beta-3 adrenergic receptor	P26255	Adrb3	Rattus norvegicus (Rat)	400
523347	Beta-3 adrenergic receptor	O02662	ADRB3	Canis lupus familiaris (Dog)	405

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