PF-00610355

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Synonyms
Status
Molecule Category Free-form
UNII ZH5SMU97AJ

Structure

InChI Key YPHDIMUXXABSSO-YTTGMZPUSA-N
Smiles CC(C)(Cc1cccc(CC(=O)NCc2cccc(-c3ccc(O)cc3)c2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
InChI
InChI=1S/C34H39N3O6S/c1-34(2,36-22-32(40)28-12-15-31(39)30(19-28)37-44(3,42)43)20-24-7-4-6-23(16-24)18-33(41)35-21-25-8-5-9-27(17-25)26-10-13-29(38)14-11-26/h4-17,19,32,36-40H,18,20-22H2,1-3H3,(H,35,41)/t32-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C34H39N3O6S
Molecular Weight 617.77
AlogP 4.64
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 13.0
Polar Surface Area 147.99
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 44.0

Pharmacology

Mechanism of Action Action Reference
Beta-2 adrenergic receptor agonist AGONIST PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
0.26 - - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
0.26 - - - -

Target Conservation

Protein: Beta-2 adrenergic receptor
Description: Beta-2 adrenergic receptor
Organism : Homo sapiens
P07550 ENSG00000169252

Cross References

Resources Reference
ChEMBL CHEMBL1240967
DrugBank DB11871
FDA SRS ZH5SMU97AJ
PubChem 11505444
SureChEMBL SCHEMBL2452493
ZINC ZINC000064490563
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