BUCINDOLOL

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Synonyms
Status
Molecule Category Free-form
UNII E9UO06K7CE
EPA CompTox DTXSID3046744

Structure

InChI Key FBMYKMYQHCBIGU-UHFFFAOYSA-N
Smiles CC(C)(Cc1c[nH]c2ccccc12)NCC(O)COc1ccccc1C#N
InChI
InChI=1S/C22H25N3O2/c1-22(2,11-17-13-24-20-9-5-4-8-19(17)20)25-14-18(26)15-27-21-10-6-3-7-16(21)12-23/h3-10,13,18,24-26H,11,14-15H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H25N3O2
Molecular Weight 363.46
AlogP 3.39
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 81.07
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 27.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 50 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- - - - 71
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 84.6
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 50 - - 84.6
Rattus norvegicus
- - - - 71

Cross References

Resources Reference
ChEMBL CHEMBL321582
DrugBank DB12752
FDA SRS E9UO06K7CE
PharmGKB PA165945764
PubChem 51045
SureChEMBL SCHEMBL20138
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