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Ligand

NameCHEMBL249333
Molecular formulaC23H29N3O2
IUPAC name2-(1-methoxybutan-2-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 weight379.504
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.4
SynonymsBDBM50423376
Inchi KeyAYUHBCWRUFPOHT-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H29N3O2/c1-6-18(14-27-4)26-13-17-9-10-25(20-8-7-19(28-5)11-15(20)2)23-22(17)21(26)12-16(3)24-23/h7-8,11-13,18H,6,9-10,14H2,1-5H3
PubChem CID44444337
ChEMBLCHEMBL249333
IUPHARN/A
BindingDB50423376
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
17800Corticotropin-releasing factor receptor 1P34998CRHR1Homo sapiens (Human)444

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