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Ligand

NameCHEMBL200794
Molecular formulaC23H24ClFN4O2
IUPAC nameN-[5-chloro-2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-7-yl]acetamide
Molecular weight442.919
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.5
SynonymsBDBM50174704
(R)-N-(2-(1-(4-fluorobenzyl)-3-methylpiperazine-4-carbonyl)-5-chloro-1H-indol-7-yl)acetamide
Inchi KeyXRBMEVHKZWOUBG-CQSZACIVSA-N
Inchi IDInChI=1S/C23H24ClFN4O2/c1-14-12-28(13-16-3-5-19(25)6-4-16)7-8-29(14)23(31)21-10-17-9-18(24)11-20(22(17)27-21)26-15(2)30/h3-6,9-11,14,27H,7-8,12-13H2,1-2H3,(H,26,30)/t14-/m1/s1
PubChem CID44405202
ChEMBLCHEMBL200794
IUPHARN/A
BindingDB50174704
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
398817C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355
398818C-C chemokine receptor type 1P51675Ccr1Mus musculus (Mouse)355

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