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Ligand

NameCHEMBL1171291
Molecular formulaC28H37N3O3
IUPAC name1-butyl-9-[(4-phenoxyphenyl)methyl]-3-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione
Molecular weight463.622
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.8
SynonymsSCHEMBL6012970
CHEMBL1200080
BDBM50322262
rac-1-Butyl-9-(4-phenoxybenzyl)-3-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride
Inchi KeyAHUGIKXKNXWOLV-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H37N3O3/c1-3-5-18-31-26(32)25(9-4-2)29-27(33)28(31)16-19-30(20-17-28)21-22-12-14-24(15-13-22)34-23-10-7-6-8-11-23/h6-8,10-15,25H,3-5,9,16-21H2,1-2H3,(H,29,33)
PubChem CID10228759
ChEMBLN/A
IUPHARN/A
BindingDB50322262
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
5888C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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