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Ligand

NameCHEMBL3718094
Molecular formulaC28H31ClN4O5S
IUPAC nameN-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-[4-[(4R,5R)-2,4,5-trimethyl-1,3-dioxolan-2-yl]piperazin-1-yl]benzenesulfonamide
Molecular weight571.089
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP4.6
SynonymsN/A
Inchi KeyJAIIDNMTTHBYDA-WOJBJXKFSA-N
Inchi IDInChI=1S/C28H31ClN4O5S/c1-19-20(2)38-28(3,37-19)33-16-14-32(15-17-33)23-5-7-24(8-6-23)39(35,36)31-26-9-4-22(29)18-25(26)27(34)21-10-12-30-13-11-21/h4-13,18-20,31H,14-17H2,1-3H3/t19-,20-/m1/s1
PubChem CID127024543
ChEMBLCHEMBL3718094
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
525740C-C chemokine receptor type 9P51686CCR9Homo sapiens (Human)369

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