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Ligand

NameCHEMBL455699
Molecular formulaC26H25F2N3O2
IUPAC name1-(2,6-difluorophenyl)-3-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methyl]urea
Molecular weight449.502
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.8
SynonymsBDBM50246925
SCHEMBL5235385
1-(4-[3-(2,6-Difluorophenyl)ureidomethyl]-3-methylbenzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepine
Inchi KeyBWBKKFRRYWSYQR-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H25F2N3O2/c1-17-15-19(25(32)31-14-5-4-8-18-7-2-3-11-23(18)31)12-13-20(17)16-29-26(33)30-24-21(27)9-6-10-22(24)28/h2-3,6-7,9-13,15H,4-5,8,14,16H2,1H3,(H2,29,30,33)
PubChem CID44563579
ChEMBLCHEMBL455699
IUPHARN/A
BindingDB50246925
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
34298Oxytocin receptorP30559OXTRHomo sapiens (Human)389
34299Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371
34300Vasopressin V2 receptorQ00788Avpr2Rattus norvegicus (Rat)371

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