General
Preferred name
CARBAZERAN
Synonyms
Carbazeran citrate ()
UK-31,557 ()
UK-31557 ()
P&D ID
PD040093
CAS
153473-94-0
70724-25-3
Tags
available
drug candidate
Drug indication
Cardiotonic
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Highly selective GSK-3 inhibitor (Tocris Bioactive Compound Library)
DESCRIPTION The citrate salt form of Carbazeran, which has been found to be an aldehyde oxidase (AO) substrate as well as a non-specific PDE inhibitor. (BOC Sciences Bioactive Compounds)
DESCRIPTION Carbazeran is an AO (Aldehyde oxidase) substrate. It is a phosphodiesterase PDE-II and PDE-III inhibitor that can produce concentration-dependent positive inotropic responses. Carbazeran shows inotropic effect in vivo with EC50 value of 100 μM.Meanwhile, Carbazeran also shows chronotropic effect in vivo. (BOC Sciences Bioactive Compounds)
Compound Sets
7
BOC Sciences Bioactive Compounds
carbazeran-cas-70724-25-3-item-272966
carbazeran-citrate-cas-153473-94-0-item-169810
Cayman Chemical Bioactives
26092
ChEMBL Drugs
CHEMBL77131
DrugMatrix
MedChem Express Bioactive Compound Library
HY-B0051
ReFrame library
Tocris Bioactive Compound Library
4420
External IDs
18
Properties
(calculated by RDKit )
Molecular Weight
360.18
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
1
Rotatable Bonds
5
Ring Count
3
Aromatic Ring Count
2
cLogP
2.36
TPSA
85.81
Fraction CSP3
0.5
Chiral centers
0.0
Largest ring
6.0
QED
0.88
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Primary Target
Other Oxygenases/Oxidases
Pathway
Metabolic Enzyme/Protease
Target
Phosphodiesterase (PDE)
Solubility
Chloroform (Slightly), Methanol (Slightly)
Source data