ARFORMOTEROL

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Synonyms
Status
Molecule Category Free-form
UNII F91H02EBWT
EPA CompTox DTXSID1023077

Structure

InChI Key BPZSYCZIITTYBL-YJYMSZOUSA-N
Smiles COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1
InChI
InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H24N2O4
Molecular Weight 344.41
AlogP 2.22
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 9.0
Polar Surface Area 90.82
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 25.0

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
0.1259-109 - - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
0.1259-0.13 - - - -
Homo sapiens
0.3162-109 - - - -

Related Entries

Cross References

Resources Reference
ChEBI 408174
ChEMBL CHEMBL1363
DrugBank DB01274
DrugCentral 4943
FDA SRS F91H02EBWT
Human Metabolome Database HMDB0015399
Guide to Pharmacology 7479
PDB H98
PharmGKB PA164743977
PubChem 3083544
SureChEMBL SCHEMBL4247
ZINC ZINC000002599970
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