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Ligand

NameCHEMBL2333480
Molecular formulaC27H28F2N4O
IUPAC name1'-cyclopentyl-1-[[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
Molecular weight462.545
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.9
SynonymsBDBM50430306
SCHEMBL14947242
Inchi KeyAEHKMNQRAODAJY-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H28F2N4O/c1-31-15-19(14-30-31)21-13-23(28)18(12-24(21)29)16-33-25-9-5-4-8-22(25)27(26(33)34)10-11-32(17-27)20-6-2-3-7-20/h4-5,8-9,12-15,20H,2-3,6-7,10-11,16-17H2,1H3
PubChem CID71569052
ChEMBLCHEMBL2333480
IUPHARN/A
BindingDB50430306
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
3470Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460

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