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Ligand

NameCHEMBL1770729
Molecular formulaC31H34F2N6O4
IUPAC nameN-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-methyloxolan-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 weight592.648
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP2.4
SynonymsSCHEMBL12219772
BDBM50342639
N-((6S,9R)-6-(2,3-difluorophenyl)-3-(2-methyltetrahydrofuran-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 KeyCAMDENMMQUEDNW-OORMIDIWSA-N
Inchi IDInChI=1S/C31H34F2N6O4/c1-30(10-4-16-42-30)24-17-35-27-23(9-8-19(18-39(24)27)20-5-2-7-22(32)25(20)33)36-28(40)38-14-11-31(12-15-38)21-6-3-13-34-26(21)37-29(41)43-31/h2-3,5-7,13,17,19,23H,4,8-12,14-16,18H2,1H3,(H,36,40)(H,34,37,41)/t19-,23-,30?/m1/s1
PubChem CID54581910
ChEMBLCHEMBL1770729
IUPHARN/A
BindingDB50342639
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
37298Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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