General
Preferred name
ALSTERPAULLONE
Synonyms
9-Nitropaullone ()
NSC 705701 ()
9-Nitropaullone, NSC705701 ()
Alp, 9-Nitropaullone, NSC 705701 ()
P&D ID
PD006558
CAS
237430-03-4
Tags
available
drug candidate
Drug indication
Discovery agent
Drug Status
experimental
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 Potent and selective PDE2A inhibitor (Tocris Bioactive Compound Library)
Cell lines
9
Organisms
2
Compound Sets
11
Cayman Chemical Bioactives
14428
CDK inhibitor database (CDKiDB)
DrugBank
DB04014
DrugMAP
DM8LUYM
Guide to Pharmacology
5925
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL50894
LSP-OptimalKinase library (Laboratory of Systems Pharmacology)
CHEMBL50894
MedChem Express Bioactive Compound Library
HY-108359
Selleckchem Bioactive Compound Library
alsterpaullone
TargetMol Bioactive Compound Library
T7426
Tocris Bioactive Compound Library
6400
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
293.08
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
4
Aromatic Ring Count
3
cLogP
3.24
TPSA
88.03
Fraction CSP3
0.06
Chiral centers
0.0
Largest ring
7.0
QED
0.53
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Cell Cycle/Checkpoint
Apoptosis
Cell Cycle/DNA Damage
PI3K/Akt/mTOR
Stem Cell/Wnt
Target
CDK
GSK-3
Apoptosis related,Caspase,CDK,GSK-3
Primary Target
Cyclin-Dependent Protein Kinases
MOA
Inhibitor
Source data