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Ligand

NameMLS003129766
Molecular formulaC23H39N5O4
IUPAC nameN-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methylcyclohexanecarboxamide
Molecular weight449.596
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP1.1
SynonymsSMR001834212
CHEMBL2140345
BRD-K90777485-001-01-1
Inchi KeyAHKBAATWJXKTGZ-WAOWUJCRSA-N
Inchi IDInChI=1S/C23H39N5O4/c1-17-12-28(18(2)15-29)22(30)10-7-11-27-13-20(24-25-27)16-32-21(17)14-26(3)23(31)19-8-5-4-6-9-19/h13,17-19,21,29H,4-12,14-16H2,1-3H3/t17-,18+,21+/m0/s1
PubChem CID44504991
ChEMBLCHEMBL2140345
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
463561Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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