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Ligand

NameCHEMBL171432
Molecular formulaC16H19NO4
IUPAC name4-[2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalene-1,2-dione
Molecular weight289.331
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP0.9
SynonymsBDBM50405146
Inchi KeyIVFBLZWKXKCXRZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H19NO4/c1-10(2)17-8-11(18)9-21-15-7-14(19)16(20)13-6-4-3-5-12(13)15/h3-7,10-11,17-18H,8-9H2,1-2H3
PubChem CID44381395
ChEMBLCHEMBL171432
IUPHARN/A
BindingDB50405146
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
142596Beta-2 adrenergic receptorP54833ADRB2Canis lupus familiaris (Dog)415

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