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Ligand

NameCHEMBL2031277
Molecular formulaC31H29N3O6
IUPAC name3,4,5-trimethoxy-N-[[4-methyl-3-[(4-phenylbenzoyl)amino]phenyl]carbamoyl]benzamide
Molecular weight539.588
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP5.7
SynonymsZINC84758624
AKOS016366767
BDBM50383020
MolPort-028-914-350
Inchi KeyACUYNCLZSUPUPX-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H29N3O6/c1-19-10-15-24(32-31(37)34-30(36)23-16-26(38-2)28(40-4)27(17-23)39-3)18-25(19)33-29(35)22-13-11-21(12-14-22)20-8-6-5-7-9-20/h5-18H,1-4H3,(H,33,35)(H2,32,34,36,37)
PubChem CID56964691
ChEMBLCHEMBL2031277
IUPHARN/A
BindingDB50383020
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis 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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1958Smoothened homologQ99835SMOHomo sapiens (Human)787

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