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Ligand

NameCHEMBL3912367
Molecular formulaC24H29ClFN3O2
IUPAC nameN-tert-butyl-1-[[3-[[2-(2-chloro-4-fluorophenyl)acetyl]amino]phenyl]methyl]pyrrolidine-3-carboxamide
Molecular weight445.963
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.7
SynonymsBDBM243852
US9428456, 2.097
Inchi KeyAUBOSVZOUKPBHH-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H29ClFN3O2/c1-24(2,3)28-23(31)18-9-10-29(15-18)14-16-5-4-6-20(11-16)27-22(30)12-17-7-8-19(26)13-21(17)25/h4-8,11,13,18H,9-10,12,14-15H2,1-3H3,(H,27,30)(H,28,31)
PubChem CID129626165
ChEMBLCHEMBL3912367
IUPHARN/A
BindingDB243852
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
536363Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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