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Ligand

Name125-73-5
Molecular formulaC17H23NO
IUPAC name(1R,9R,10S)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
Molecular weight257.377
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.1
SynonymsBDBM224023
SCHEMBL3495833
CHEMBL3919892
(4bR,8aS,9R)-11-Methyl-6,7,8,8a,9,10-hexahydro-5H-9,4b-(epiminoethano)phenanthren-3-ol
ZINC1616
[ Show all ]
Inchi KeyJAQUASYNZVUNQP-DJIMGWMZSA-N
Inchi IDInChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16-,17-/m1/s1
PubChem CID5416975
ChEMBLN/A
IUPHARN/A
BindingDB224023
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
525741Mas-related G-protein coupled receptor member X2Q96LB1MRGPRX2Homo sapiens (Human)330

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