TALINOLOL

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: Parent
ATC: C07AB13
UNII: 3S82268BKG

Structure
InChI Key MXFWWQICDIZSOA-UHFFFAOYSA-N
Smile CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1
InChI
InChI=1S/C20H33N3O3/c1-20(2,3)21-13-17(24)14-26-18-11-9-16(10-12-18)23-19(25)22-15-7-5-4-6-8-15/h9-12,15,17,21,24H,4-8,13-14H2,1-3H3,(H2,22,23,25)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H33N3O3
Molecular Weight 363.5
AlogP 3.27
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 7.0
Polar Surface Area 82.62
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 26.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Serine protease Serine protease SC clan Serine protease S33 family
- 2800 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- - - 240 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Obesity, Morbid 1 D009767 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 57460-41-0
ChEBI 135533
ChEMBL CHEMBL152067
DrugBank DB11770
DrugCentral 2557
EPA CompTox DTXSID6046426
FDA SRS 3S82268BKG
Human Metabolome Database HMDB0042020
Guide to Pharmacology 4664
PubChem 68770
SureChEMBL SCHEMBL78047
CONTENTS