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Ligand

NameCHEMBL3978976
Molecular formulaC26H32N4O2S
IUPAC nameN-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-2-methyl-1,3-benzothiazole-5-carboxamide
Molecular weight464.628
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.2
SynonymsBDBM243849
US9428456, 1.354
Inchi KeyABSPWPFIBZUQNZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H32N4O2S/c1-17-27-22-15-20(8-9-23(22)33-17)24(31)28-21-7-5-6-18(14-21)16-30-12-10-19(11-13-30)25(32)29-26(2,3)4/h5-9,14-15,19H,10-13,16H2,1-4H3,(H,28,31)(H,29,32)
PubChem CID129626163
ChEMBLCHEMBL3978976
IUPHARN/A
BindingDB243849
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
533917Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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