MILVETEROL

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Synonyms
Status
Molecule Category Free-form
UNII LGY1VQ9622
EPA CompTox DTXSID30215640

Structure

InChI Key BMKINZUHKYLSKI-DQEYMECFSA-N
Smiles O=CNc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O
InChI
InChI=1S/C25H29N3O4/c29-17-28-22-14-20(8-11-23(22)30)24(31)15-26-13-12-18-6-9-21(10-7-18)27-16-25(32)19-4-2-1-3-5-19/h1-11,14,17,24-27,30-32H,12-13,15-16H2,(H,28,29)/t24-,25-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H29N3O4
Molecular Weight 435.52
AlogP 2.97
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 12.0
Polar Surface Area 113.85
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 32.0

Pharmacology

Mechanism of Action Action Reference
Beta-2 adrenergic receptor agonist AGONIST
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
0.05012-39.81 - - 3.162-3.162 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
0.05012 - - - -
Homo sapiens
0.0631-39.81 - - 3.162-3.162 -

Target Conservation

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

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL1940832
FDA SRS LGY1VQ9622
PubChem 9892481
SureChEMBL SCHEMBL265694
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