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Ligand

NameCHEMBL455214
Molecular formulaC32H29F4N3O7
IUPAC name(2R)-3-[[4-[[4-(cyclohexen-1-yl)-N-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoyl]anilino]methyl]benzoyl]amino]-2-hydroxypropanoic acid
Molecular weight643.592
Hydrogen bond acceptor11
Hydrogen bond donor4
XlogP5.1
SynonymsBDBM50245099
SCHEMBL2665510
(R)-3-{4-[1-(4-Cyclohex-1-enylphenyl)-3-(2,2,4,4-tetrafluoro-4H-benzo[1,3]dioxin-6-yl)ureidomethyl]benzoylamino}-2-hydroxypropionic acid
Inchi KeySPYNVKYBDKGKEH-AREMUKBSSA-N
Inchi IDInChI=1S/C32H29F4N3O7/c33-31(34)25-16-23(12-15-27(25)45-32(35,36)46-31)38-30(44)39(24-13-10-21(11-14-24)20-4-2-1-3-5-20)18-19-6-8-22(9-7-19)28(41)37-17-26(40)29(42)43/h4,6-16,26,40H,1-3,5,17-18H2,(H,37,41)(H,38,44)(H,42,43)/t26-/m1/s1
PubChem CID10168348
ChEMBLCHEMBL455214
IUPHARN/A
BindingDB50245099
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
320376Gastric inhibitory polypeptide receptorP48546GIPRHomo sapiens (Human)466
320375Glucagon receptorP47871GCGRHomo sapiens (Human)477

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