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Ligand

NameCHEMBL497202
Molecular formulaC26H32F3N3O4S2
IUPAC nameN-[2-[[(1S,2R,4R)-4-(dimethylamino)-2-[(4-methylsulfanylphenyl)sulfonylmethyl]cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
Molecular weight571.674
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP4.1
SynonymsSCHEMBL2988733
BDBM50268423
N-(2-((1S,2R,4R)-4-(dimethylamino)-2-((4-(methylthio)phenylsulfonyl)methyl)cyclohexylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide
Inchi KeyACJHGTKORBIIDI-NOXFTYBFSA-N
Inchi IDInChI=1S/C26H32F3N3O4S2/c1-32(2)20-7-12-23(18(14-20)16-38(35,36)22-10-8-21(37-3)9-11-22)31-24(33)15-30-25(34)17-5-4-6-19(13-17)26(27,28)29/h4-6,8-11,13,18,20,23H,7,12,14-16H2,1-3H3,(H,30,34)(H,31,33)/t18-,20+,23-/m0/s1
PubChem CID10289827
ChEMBLCHEMBL497202
IUPHARN/A
BindingDB50268423
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1624C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
1625C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355

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