CARMOTEROL

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Synonyms
Status
Molecule Category Free-form
UNII 9810NUL4D1

Structure

InChI Key IHOXNOQMRZISPV-YJYMSZOUSA-N
Smiles COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1
InChI
InChI=1S/C21H24N2O4/c1-13(11-14-3-5-15(27-2)6-4-14)22-12-19(25)16-7-9-18(24)21-17(16)8-10-20(26)23-21/h3-10,13,19,22,24-25H,11-12H2,1-2H3,(H,23,26)/t13-,19+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H24N2O4
Molecular Weight 368.43
AlogP 2.5
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 7.0
Polar Surface Area 94.58
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 27.0

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
0.76 0.3 - 3.19 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- 0.3 - - -
Homo sapiens
0.76 - - 3.19 -

Target Conservation

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

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL1094785
DrugBank DB15784
FDA SRS 9810NUL4D1
Guide to Pharmacology 7582
PDB WHJ
PubChem 63952
SureChEMBL SCHEMBL465645
ZINC ZINC000034853956
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