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Ligand

NameCHEMBL2349588
Molecular formulaC29H35N3O3
IUPAC name1-(3,3-diphenylpropyl)-3-[3-(hydroxymethyl)phenyl]-1-(2-morpholin-4-ylethyl)urea
Molecular weight473.617
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.7
SynonymsSCHEMBL925969
APEYDQTXOQBNAB-UHFFFAOYSA-N
BDBM50432134
1-(3,3-diphenylpropyl)-3-(3-hydroxymethylphenyl)-1-(2-morpholin-4-ylethyl)urea
Inchi KeyAPEYDQTXOQBNAB-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H35N3O3/c33-23-24-8-7-13-27(22-24)30-29(34)32(17-16-31-18-20-35-21-19-31)15-14-28(25-9-3-1-4-10-25)26-11-5-2-6-12-26/h1-13,22,28,33H,14-21,23H2,(H,30,34)
PubChem CID16737126
ChEMBLCHEMBL2349588
IUPHARN/A
BindingDB50432134
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
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GLASS IDNameUniProtGeneSpeciesLength
10902Extracellular calcium-sensing receptorP41180CASRHomo sapiens (Human)1078

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