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Ligand

NameCHEMBL3971826
Molecular formulaC22H25N5O3S
IUPAC nameN-[4-(2-cyanopyrrol-1-yl)-1-oxo-1-piperidin-1-ylbutan-2-yl]-1H-indole-4-sulfonamide
Molecular weight439.534
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.2
SynonymsBDBM50198997
SCHEMBL1313835
Inchi KeyPMRHYYXYTRTUHI-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H25N5O3S/c23-16-17-6-5-14-26(17)15-10-20(22(28)27-12-2-1-3-13-27)25-31(29,30)21-8-4-7-19-18(21)9-11-24-19/h4-9,11,14,20,24-25H,1-3,10,12-13,15H2
PubChem CID58509356
ChEMBLCHEMBL3971826
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
542989C-C chemokine receptor type 10P46092CCR10Homo sapiens (Human)362

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