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Ligand

NameMLS000556376
Molecular formulaC19H15BrN4
IUPAC name8-bromo-4-(3,4-dihydro-1H-isoquinolin-2-yl)-5H-pyrimido[5,4-b]indole
Molecular weight379.261
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.4
SynonymsSMR000147693
8-Bromo-4-(3,4-dihydro-1H-isoquinolin-2-yl)-5H-pyrimido[5,4-b]indole
AC1MXYDI
CHEMBL1377902
BDBM57180
[ Show all ]
Inchi KeyAHJWDZVAOCDVBU-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H15BrN4/c20-14-5-6-16-15(9-14)17-18(23-16)19(22-11-21-17)24-8-7-12-3-1-2-4-13(12)10-24/h1-6,9,11,23H,7-8,10H2
PubChem CID3773351
ChEMBLCHEMBL1377902
IUPHARN/A
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5635Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
463560Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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