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Ligand

NameMLS003128768
Molecular formulaC31H45FN4O5
IUPAC name1-[[(3R,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-(4-fluorophenyl)-1-methylurea
Molecular weight572.722
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.2
SynonymsSMR001833214
BRD-K07881060-001-02-4
CHEMBL2138567
CHEBI:97525
BRD-K07881060-001-01-6
Inchi KeyAGSKCAQZMPMVIM-KAMGSVSWSA-N
Inchi IDInChI=1S/C31H45FN4O5/c1-21-18-36(22(2)20-37)30(38)27-17-26(34(4)5)14-15-28(27)41-23(3)9-7-8-16-40-29(21)19-35(6)31(39)33-25-12-10-24(32)11-13-25/h10-15,17,21-23,29,37H,7-9,16,18-20H2,1-6H3,(H,33,39)/t21-,22+,23+,29+/m0/s1
PubChem CID44501775
ChEMBLCHEMBL2138567
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5168Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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