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Ligand

NameCHEMBL418147
Molecular formulaC25H27N5O3
IUPAC name2-[(furan-2-ylmethylamino)carbamoylamino]-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide
Molecular weight445.523
Hydrogen bond acceptor4
Hydrogen bond donor5
XlogP3.1
SynonymsBDBM50127541
Inchi KeyBOABEBQUKIHPOP-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H27N5O3/c31-24(26-13-12-18-7-2-1-3-8-18)23(15-19-16-27-22-11-5-4-10-21(19)22)29-25(32)30-28-17-20-9-6-14-33-20/h1-11,14,16,23,27-28H,12-13,15,17H2,(H,26,31)(H2,29,30,32)
PubChem CID44300796
ChEMBLCHEMBL418147
IUPHARN/A
BindingDB50127541
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
28582Bombesin receptor subtype-3P32247BRS3Homo sapiens (Human)399

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