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Ligand

NameCHEMBL2113072
Molecular formulaC21H30ClN3O
IUPAC name4-N-[2-[(4-chlorophenoxy)methyl]pyridin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
Molecular weight375.941
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.9
SynonymsBDBM50409960
Inchi KeyCCNWMQDEKJAVQS-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H30ClN3O/c1-4-25(5-2)14-6-7-17(3)24-19-12-13-23-20(15-19)16-26-21-10-8-18(22)9-11-21/h8-13,15,17H,4-7,14,16H2,1-3H3,(H,23,24)
PubChem CID71452724
ChEMBLCHEMBL2113072
IUPHARN/A
BindingDB50409960
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
38775C-C chemokine receptor type 4P51679CCR4Homo sapiens (Human)360

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