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Ligand

NameVIBEGRON
Molecular formulaC26H28N4O3
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 weight444.535
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP1.8
SynonymsBDBM50146154
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
[ Show all ]
Inchi KeyDJXRIQMCROIRCZ-XOEOCAAJSA-N
Inchi IDInChI=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 CID44472635
ChEMBLCHEMBL2107826
IUPHARN/A
BindingDB50146154
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
523348Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
523344Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
523343Beta-3 adrenergic receptorQ28524ADRB3Macaca mulatta (Rhesus macaque)418
523345Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408
523346Beta-3 adrenergic receptorP26255Adrb3Rattus norvegicus (Rat)400
523347Beta-3 adrenergic receptorO02662ADRB3Canis lupus familiaris (Dog)405

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