CELIPROLOL

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Parent
ATC: C07AB08
UNII: DRB57K47QC

Structure
InChI Key JOATXPAWOHTVSZ-UHFFFAOYSA-N
Smile CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1
InChI
InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H33N3O4
Molecular Weight 379.5
AlogP 2.89
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 9.0
Polar Surface Area 90.9
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Adrenergic receptor alpha-2 antagonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - -
Enzyme Transferase
- - - - 11.44
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 0.09-103.09
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 8912.51 -
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- - - 313000 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Ehlers-Danlos Syndrome 3 D004535 ClinicalTrials

Related Entries

MCS

Cross References

Resources Reference
CAS NUMBER 56980-93-9
ChEBI 94461
ChEMBL CHEMBL27810
DrugBank DB04846
DrugCentral 569
EPA CompTox DTXSID3020259
FDA SRS DRB57K47QC
Guide to Pharmacology 9064
PubChem 2663
SureChEMBL SCHEMBL49415
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