OLODATEROL

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Synonyms
Status
Molecule Category Free-form
ATC R03AC19
UNII VD2YSN1AFD

Structure

InChI Key COUYJEVMBVSIHV-SFHVURJKSA-N
Smiles 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

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
0.02-123.03 - - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
0.02-123.03 - - - -

Cross References

Resources Reference
ChEBI 82700
ChEMBL CHEMBL605846
DrugBank DB09080
DrugCentral 4814
FDA SRS VD2YSN1AFD
Guide to Pharmacology 7543
PubChem 11504295
SureChEMBL SCHEMBL560926
ZINC ZINC000034636383
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