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Ligand

NameCHEMBL231589
Molecular formulaC26H33FN4O2
IUPAC nameN-[2-(dimethylamino)ethyl]-N-[(1R)-1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]hexanamide
Molecular weight452.574
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.4
SynonymsBDBM50211126
(R)-N-(2-(dimethylamino)ethyl)-N-(1-(3-(4-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)ethyl)hexanamide
Inchi KeyBMGFLSMRFZBUOF-LJQANCHMSA-N
Inchi IDInChI=1S/C26H33FN4O2/c1-5-6-7-12-24(32)30(18-17-29(3)4)19(2)25-28-23-11-9-8-10-22(23)26(33)31(25)21-15-13-20(27)14-16-21/h8-11,13-16,19H,5-7,12,17-18H2,1-4H3/t19-/m1/s1
PubChem CID44426678
ChEMBLCHEMBL231589
IUPHARN/A
BindingDB50211126
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
27447C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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