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Ligand

NameCHEMBL1770725
Molecular formulaC29H32F2N6O4
IUPAC nameN-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide
Molecular weight566.61
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP1.8
SynonymsSCHEMBL2526934
SCHEMBL2526936
BDBM50342635
N-((6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl)-2''-oxo-1'',2''-dihydrospiro[piperidine-4,4''-pyrido[2,3-d][1,3]oxazine]-1-carboxamide
Inchi KeyCGDYLVJZINGUBY-DYESRHJHSA-N
Inchi IDInChI=1S/C29H32F2N6O4/c1-28(2,40)22-15-33-25-21(9-8-17(16-37(22)25)18-5-3-7-20(30)23(18)31)34-26(38)36-13-10-29(11-14-36)19-6-4-12-32-24(19)35-27(39)41-29/h3-7,12,15,17,21,40H,8-11,13-14,16H2,1-2H3,(H,34,38)(H,32,35,39)/t17-,21-/m1/s1
PubChem CID54587762
ChEMBLCHEMBL1770725
IUPHARN/A
BindingDB50342635
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
41231Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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