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Ligand

NameCHEMBL472484
Molecular formulaC22H30ClFN2
IUPAC name1-(2-adamantyl)-4-[(4-chloro-2-fluorophenyl)methyl]-1,4-diazepane
Molecular weight376.944
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP5.0
SynonymsBDBM50413581
Inchi KeyABQUUDCBIQXIGV-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H30ClFN2/c23-20-3-2-17(21(24)13-20)14-25-4-1-5-26(7-6-25)22-18-9-15-8-16(11-18)12-19(22)10-15/h2-3,13,15-16,18-19,22H,1,4-12,14H2
PubChem CID44592343
ChEMBLCHEMBL472484
IUPHARN/A
BindingDB50413581
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
1084C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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