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Ligand

NameCHEMBL2031291
Molecular formulaC31H30N4O5
IUPAC name3,4,5-trimethoxy-N-[N'-[4-methyl-3-[(3-phenylbenzoyl)amino]phenyl]carbamimidoyl]benzamide
Molecular weight538.604
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP5.5
SynonymsBDBM50383032
SCHEMBL8222790
Inchi KeyBQVVGHXOJLAFDL-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H30N4O5/c1-19-13-14-24(33-31(32)35-30(37)23-16-26(38-2)28(40-4)27(17-23)39-3)18-25(19)34-29(36)22-12-8-11-21(15-22)20-9-6-5-7-10-20/h5-18H,1-4H3,(H,34,36)(H3,32,33,35,37)
PubChem CID136210512
ChEMBLCHEMBL2031291
IUPHARN/A
BindingDB50383032
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
30703Smoothened homologQ99835SMOHomo sapiens (Human)787

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