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Ligand

NameCHEMBL1609535
Molecular formulaC28H32N4O3
IUPAC name3-(benzylcarbamoylamino)-N-[(3-ethoxyphenyl)methyl]-4-pyrrolidin-1-ylbenzamide
Molecular weight472.589
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP4.1
SynonymsMolPort-007-864-933
HMS1890F12
ZINC8609041
AKOS002006489
MCULE-5051062028
[ Show all ]
Inchi KeyABYNQESLXJTRDE-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H32N4O3/c1-2-35-24-12-8-11-22(17-24)20-29-27(33)23-13-14-26(32-15-6-7-16-32)25(18-23)31-28(34)30-19-21-9-4-3-5-10-21/h3-5,8-14,17-18H,2,6-7,15-16,19-20H2,1H3,(H,29,33)(H2,30,31,34)
PubChem CID16028501
ChEMBLCHEMBL1609535
IUPHARN/A
BindingDBN/A
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
463119Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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