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Ligand

NameAC1LDEG2
Molecular formulaC20H15BrN2O7
IUPAC name2-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
Molecular weight475.251
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP3.4
SynonymsAB00401659-07
MCULE-2828552187
AKOS005701970
MolPort-002-634-768
5-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-(furan-2-ylcarbonyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-1,5-dihydro-2H-pyrrol-2-one
[ Show all ]
Inchi KeyCJDXMEZNQPGKSA-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H15BrN2O7/c1-9-6-14(22-30-9)23-16(10-7-11(21)17(24)13(8-10)28-2)15(19(26)20(23)27)18(25)12-4-3-5-29-12/h3-8,16,24,26H,1-2H3
PubChem CID665729
ChEMBLCHEMBL1307438
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
468222fMet-Leu-Phe receptorP21462FPR1Homo sapiens (Human)350

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