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Ligand

NameCHEMBL392730
Molecular formulaC27H32F2N6O4S
IUPAC nameN-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methylsulfinylethyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
Molecular weight574.648
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP1.0
SynonymsN-{(3R,6S)-6-(2,3-Difluorophenyl)-1-[2-(methylsulfinyl)ethyl]-2-oxoazepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
SCHEMBL1198927
N-{(3R,6S)-6-(2,3-difluorophenyl)-1-[2-(methylsulfinyl)ethyl]-2-oxoazepan-3-yl}-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
BDBM50224420
DBCLRSQXKGHQDK-BKVHBMEDSA-N
[ Show all ]
Inchi KeyDBCLRSQXKGHQDK-BKVHBMEDSA-N
Inchi IDInChI=1S/C27H32F2N6O4S/c1-40(39)15-14-34-16-17(19-4-2-5-20(28)23(19)29)7-8-21(25(34)36)31-26(37)33-12-9-18(10-13-33)35-22-6-3-11-30-24(22)32-27(35)38/h2-6,11,17-18,21H,7-10,12-16H2,1H3,(H,31,37)(H,30,32,38)/t17-,21-,40?/m1/s1
PubChem CID11180666
ChEMBLCHEMBL392730
IUPHARN/A
BindingDB50224420
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
55526Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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