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Ligand

Name125-71-3
Molecular formulaC18H25NO
IUPAC name(1R,9R,10S)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
Molecular weight271.404
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP3.4
SynonymsAX8017886
(4bR,8aS,9R)-3-Methoxy-11-methyl-6,7,8,8a,9,10-hexahydro-5H-9,4b-(epiminoethano)phenanthrene
SCHEMBL248575
AJ-08060
BDBM213826
[ Show all ]
Inchi KeyMKXZASYAUGDDCJ-KBAYOESNSA-N
Inchi IDInChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17-,18-/m1/s1
PubChem CID6916184
ChEMBLN/A
IUPHARN/A
BindingDB213826
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
527486Mas-related G-protein coupled receptor member X2Q96LB1MRGPRX2Homo sapiens (Human)330

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