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Ligand

NameCHEMBL2313391
Molecular formulaC18H16ClN3O3S
IUPAC name3-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
Molecular weight389.854
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.4
SynonymsBDBM50423953
Inchi KeyBJWYXJYJCGLDDU-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H16ClN3O3S/c1-8-13-15(20)16(26-18(13)22-9(2)14(8)19)17(23)21-6-10-3-4-11-12(5-10)25-7-24-11/h3-5H,6-7,20H2,1-2H3,(H,21,23)
PubChem CID53382482
ChEMBLCHEMBL2313391
IUPHARN/A
BindingDB50423953
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
25533Muscarinic acetylcholine receptor M4P08173CHRM4Homo sapiens (Human)479

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