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Ligand

Namechloroquine
Molecular formulaC18H26ClN3
IUPAC name4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
Molecular weight319.877
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.6
Synonyms( -)-Chloroquine
(+)-Chloroquine
(+)-N4-(7-Chloro-4-quinolinyl)-N1,N1-diethyl-1,4-pentanediamine
(+-)-Chloroquine
(-)-Chloroquine
[ Show all ]
Inchi KeyWHTVZRBIWZFKQO-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)
PubChem CID2719
ChEMBLN/A
IUPHAR5535
BindingDBN/A
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
555154Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322

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