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Ligand

NameCHEMBL430396
Molecular formulaC25H33N3O
IUPAC name2-heptan-4-yl-7-(4-methoxy-2-methylphenyl)-10-methyl-2,7,9-triazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene
Molecular weight391.559
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP6.2
SynonymsBDBM50423384
Inchi KeyAIVXYLURMNSEIQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H33N3O/c1-6-8-20(9-7-2)28-16-19-12-13-27(22-11-10-21(29-5)14-17(22)3)25-24(19)23(28)15-18(4)26-25/h10-11,14-16,20H,6-9,12-13H2,1-5H3
PubChem CID44444312
ChEMBLCHEMBL430396
IUPHARN/A
BindingDB50423384
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
6571Corticotropin-releasing factor receptor 1P34998CRHR1Homo sapiens (Human)444

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