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Ligand

NameCHEMBL404260
Molecular formulaC20H22BrClN4O2
IUPAC name2-amino-5-bromo-N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]benzamide
Molecular weight465.776
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP3.5
SynonymsBDBM50375757
Inchi KeyAHSWPKAJAMQZJR-MRXNPFEDSA-N
Inchi IDInChI=1S/C20H22BrClN4O2/c21-14-3-6-18(23)17(9-14)20(28)24-10-19(27)25-16-7-8-26(12-16)11-13-1-4-15(22)5-2-13/h1-6,9,16H,7-8,10-12,23H2,(H,24,28)(H,25,27)/t16-/m1/s1
PubChem CID44453473
ChEMBLCHEMBL404260
IUPHARN/A
BindingDB50375757
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
5860C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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