PENBUTOLOL

Search structure
Synonyms:
Status: Approved (1987)
Entry Type: Small molecule
Molecule Category: Parent
ATC: C07AA23
UNII: 78W62V43DY

Structure
InChI Key KQXKVJAGOJTNJS-HNNXBMFYSA-N
Smile CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1
InChI
InChI=1S/C18H29NO2/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3/t15-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H29NO2
Molecular Weight 291.44
AlogP 3.47
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 41.49
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 21.0

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 Serotonin receptor
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Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 7954
ChEMBL CHEMBL1290
DrugBank DB01359
DrugCentral 2078
EPA CompTox DTXSID8023428
FDA SRS 78W62V43DY
Human Metabolome Database HMDB0015447
Guide to Pharmacology 7263
KEGG C07416
PharmGKB PA164749474
PubChem 37464
SureChEMBL SCHEMBL41408
ZINC ZINC000000001898
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