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Ligand

NameCHEMBL475129
Molecular formulaC26H32N4O4
IUPAC name(2S)-1-N-[[4-(3,4-dihydro-2H-1,5-benzoxazepine-5-carbonyl)-2-methylphenyl]methyl]-2-N,2-N-dimethylpyrrolidine-1,2-dicarboxamide
Molecular weight464.566
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.6
Synonyms1-(2-Methyl-4-(2,3,4,5-tetrahydro-1,5-benzoxazepin-5-ylcarbonyl)benzylcarbamoyl)-L-proline-N,N-dimethylamide
BDBM50246720
Inchi KeyAFIOOKUPZYAJQG-QFIPXVFZSA-N
Inchi IDInChI=1S/C26H32N4O4/c1-18-16-19(24(31)29-14-7-15-34-23-10-5-4-8-21(23)29)11-12-20(18)17-27-26(33)30-13-6-9-22(30)25(32)28(2)3/h4-5,8,10-12,16,22H,6-7,9,13-15,17H2,1-3H3,(H,27,33)/t22-/m0/s1
PubChem CID25180885
ChEMBLCHEMBL475129
IUPHARN/A
BindingDB50246720
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4183Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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