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Ligand

NameCHEMBL2160208
Molecular formulaC40H41N7O2
IUPAC name3-pyridin-3-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]pyridin-3-yl]methyl]piperidin-4-yl]benzamide
Molecular weight651.815
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP5.3
SynonymsSCHEMBL15615256
BDBM50394561
Inchi KeyCHEGQSMAFNABCA-UHFFFAOYSA-N
Inchi IDInChI=1S/C40H41N7O2/c48-39(32-7-1-5-30(23-32)34-9-3-17-41-26-34)44-36-13-19-46(20-14-36)28-29-11-12-38(43-25-29)47-21-15-37(16-22-47)45-40(49)33-8-2-6-31(24-33)35-10-4-18-42-27-35/h1-12,17-18,23-27,36-37H,13-16,19-22,28H2,(H,44,48)(H,45,49)
PubChem CID71458712
ChEMBLCHEMBL2160208
IUPHARN/A
BindingDB50394561
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
41914Smoothened homologQ99835SMOHomo sapiens (Human)787
41915Smoothened homologP56726SmoMus musculus (Mouse)793

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