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Ligand

NameCHEMBL3944347
Molecular formulaC23H29ClN4O3
IUPAC nameN-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-chloro-1-oxidopyridin-1-ium-2-carboxamide
Molecular weight444.96
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.2
SynonymsBDBM243978
SCHEMBL17270243
US9428456, 4.024
Inchi KeyBNNADQZTEDNFTR-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H29ClN4O3/c1-23(2,3)26-21(29)17-9-11-27(12-10-17)14-16-5-4-6-19(13-16)25-22(30)20-8-7-18(24)15-28(20)31/h4-8,13,15,17H,9-12,14H2,1-3H3,(H,25,30)(H,26,29)
PubChem CID118521937
ChEMBLCHEMBL3944347
IUPHARN/A
BindingDB243978
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
534014Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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