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Ligand

NameCHEMBL3099923
Molecular formulaC31H33FN4O2
IUPAC nameN-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2,2-dimethyl-N-[(E)-3-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]prop-2-enyl]propanamide
Molecular weight512.629
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.5
SynonymsBDBM103501
SCHEMBL12367212
US8552023, 13
Inchi KeyCUZDSMAQNGFFFO-QFSLHFMNSA-N
Inchi IDInChI=1S/C31H33FN4O2/c1-19-10-11-22(15-25(19)32)20(2)36(29(38)30(3,4)5)13-7-8-21-14-23-16-31(17-26(23)34-18-21)24-9-6-12-33-27(24)35-28(31)37/h6-12,14-15,18,20H,13,16-17H2,1-5H3,(H,33,35,37)/b8-7+/t20-,31+/m1/s1
PubChem CID58379682
ChEMBLCHEMBL3099923
IUPHARN/A
BindingDB103501
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
51292Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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