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Ligand

NameCHEMBL255857
Molecular formulaC30H39N5O2S
IUPAC name(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)-[4-methyl-4-[4-[N-[(2-methyl-1,3-thiazol-4-yl)methyl]anilino]piperidin-1-yl]piperidin-1-yl]methanone
Molecular weight533.735
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.2
SynonymsBDBM50234727
SCHEMBL3840733
2,4-dimethyl-1-oxy-pyridin-3-yl)-{4''-methyl-4-[(2-methyl-thiazol-4-ylmethyl)-phenyl-amino]-[1,4'']bipiperidinyl-1''-yl}-methanone
Inchi KeyDNXMKFAIRKHJIZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H39N5O2S/c1-22-10-17-35(37)23(2)28(22)29(36)32-18-13-30(4,14-19-32)33-15-11-27(12-16-33)34(26-8-6-5-7-9-26)20-25-21-38-24(3)31-25/h5-10,17,21,27H,11-16,18-20H2,1-4H3
PubChem CID10186910
ChEMBLCHEMBL255857
IUPHARN/A
BindingDB50234727
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
64752C-C chemokine receptor type 5P61814CCR5Macaca fascicularis (Crab-eating macaque)352
64753C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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