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Ligand

NameCHEMBL370162
Molecular formulaC22H26ClFN4O2
IUPAC nameN-[5-chloro-2-[[2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-oxoethyl]amino]phenyl]acetamide
Molecular weight432.924
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.1
Synonyms(R)-N-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethylamino)-5-chlorophenyl)acetamide
BDBM50174720
Inchi KeyLVFJZDICAVGCQC-OAHLLOKOSA-N
Inchi IDInChI=1S/C22H26ClFN4O2/c1-15-13-27(14-17-3-6-19(24)7-4-17)9-10-28(15)22(30)12-25-20-8-5-18(23)11-21(20)26-16(2)29/h3-8,11,15,25H,9-10,12-14H2,1-2H3,(H,26,29)/t15-/m1/s1
PubChem CID44405181
ChEMBLCHEMBL370162
IUPHARN/A
BindingDB50174720
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
197278C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355
197279C-C chemokine receptor type 1P51675Ccr1Mus musculus (Mouse)355

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