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Ligand

NameCHEMBL3975141
Molecular formulaC25H28N4O3S
IUPAC nameN-[4-(2-cyanopyrrol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]naphthalene-1-sulfonamide
Molecular weight464.584
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.8
SynonymsSCHEMBL1077541
BDBM50199044
Inchi KeyMPYAGMCVTTUHIY-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H28N4O3S/c1-19-11-15-29(16-12-19)25(30)23(13-17-28-14-5-8-21(28)18-26)27-33(31,32)24-10-4-7-20-6-2-3-9-22(20)24/h2-10,14,19,23,27H,11-13,15-17H2,1H3
PubChem CID58509360
ChEMBLCHEMBL3975141
IUPHARN/A
BindingDBN/A
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
541524C-C chemokine receptor type 10P46092CCR10Homo sapiens (Human)362

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