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Ligand

NameCHEMBL3948534
Molecular formulaC25H31Cl2N3O2
IUPAC nameN-tert-butyl-1-[[3-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide
Molecular weight476.442
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.5
SynonymsBDBM243906
US9428456, 1.245
Inchi KeyAPUZQTBXTGNHTM-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H31Cl2N3O2/c1-25(2,3)29-24(32)18-10-12-30(13-11-18)16-17-6-4-7-19(14-17)28-23(31)15-20-21(26)8-5-9-22(20)27/h4-9,14,18H,10-13,15-16H2,1-3H3,(H,28,31)(H,29,32)
PubChem CID129626198
ChEMBLCHEMBL3948534
IUPHARN/A
BindingDB243906
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
533960Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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