PF-00610355

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: ZH5SMU97AJ

Structure
InChI Key YPHDIMUXXABSSO-YTTGMZPUSA-N
Smile 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

Action Mechanism of Action Reference
AGONIST Beta-2 adrenergic receptor 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 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Asthma 2 D001249 ClinicalTrials
Pulmonary Disease, Chronic Obstructive 2 D029424 ClinicalTrials
Lung Diseases 1 D008171 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 862541-45-5
ChEMBL CHEMBL1240967
DrugBank DB11871
FDA SRS ZH5SMU97AJ
PubChem 11505444
SureChEMBL SCHEMBL2452493
ZINC ZINC000064490563
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