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Ligand

NameCHEMBL3969321
Molecular formulaC20H23Cl2N5O3S
IUPAC name4-amino-3,5-dichloro-N-[4-(2-cyanopyrrol-1-yl)-1-oxo-1-piperidin-1-ylbutan-2-yl]benzenesulfonamide
Molecular weight484.396
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.6
SynonymsBDBM50199083
SCHEMBL1311428
Inchi KeyJIUOHGCUXWYFIO-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H23Cl2N5O3S/c21-16-11-15(12-17(22)19(16)24)31(29,30)25-18(20(28)27-7-2-1-3-8-27)6-10-26-9-4-5-14(26)13-23/h4-5,9,11-12,18,25H,1-3,6-8,10,24H2
PubChem CID58509102
ChEMBLCHEMBL3969321
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
539879C-C chemokine receptor type 10P46092CCR10Homo sapiens (Human)362

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