OLODATEROL

Search structure
Synonyms:
Status: Approved (2014)
Entry Type: Small molecule
Molecule Category: Parent
ATC: R03AC19
UNII: VD2YSN1AFD

Structure
InChI Key COUYJEVMBVSIHV-SFHVURJKSA-N
Smile COc1ccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3c2OCC(=O)N3)cc1
InChI
InChI=1S/C21H26N2O5/c1-21(2,10-13-4-6-15(27-3)7-5-13)22-11-18(25)16-8-14(24)9-17-20(16)28-12-19(26)23-17/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26)/t18-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H26N2O5
Molecular Weight 386.45
AlogP 2.38
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 7.0
Polar Surface Area 100.05
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

Primary Target
β2-adrenoceptor
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
0.02-0.0871 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pulmonary Disease, Chronic Obstructive 3 D029424 ClinicalTrials
Asthma 2 D001249 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 868049-49-4
ChEBI 82700
ChEMBL CHEMBL605846
DrugBank DB09080
DrugCentral 4814
FDA SRS VD2YSN1AFD
Guide to Pharmacology 7543
PDB DZQ
PubChem 11504295
SureChEMBL SCHEMBL560926
ZINC ZINC000034636383
CONTENTS