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Ligand

NameCHEMBL374939
Molecular formulaC27H31N3O4S
IUPAC nameN-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
Molecular weight493.622
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.2
SynonymsN-(4-{[(1-butyrylpiperidin-4-yl)amino]sulfonyl}-1-naphthyl)-2-methylbenzamide
SCHEMBL1340030
BDBM50203831
Inchi KeyLOBUISIPHBRTPI-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H31N3O4S/c1-3-8-26(31)30-17-15-20(16-18-30)29-35(33,34)25-14-13-24(22-11-6-7-12-23(22)25)28-27(32)21-10-5-4-9-19(21)2/h4-7,9-14,20,29H,3,8,15-18H2,1-2H3,(H,28,32)
PubChem CID10391001
ChEMBLCHEMBL374939
IUPHARN/A
BindingDB50203831
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
192188C-C chemokine receptor type 8P51685CCR8Homo sapiens (Human)355

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