General
Preferred name
cyclopiazonic acid
Synonyms
Cyclopiazonic Acid-13C20 ()
Alpha-Cyclopiazonic Acid ()
P&D ID
PD021832
CAS
18172-33-3
Tags
natural product
drug candidate
available
Drug indication
Discovery agent
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 Inhibitor of SERCA ATPase (Tocris Bioactive Compound Library)
DESCRIPTION Inhibitor of SERCA ATPase (Tocriscreen Total)
Cell lines
0
Organisms
1
Compound Sets
7
Cayman Chemical Bioactives
11326
31297
Drug Repurposing Hub
DrugMAP
DMPJ08G
Guide to Pharmacology
5350
MedChem Express Bioactive Compound Library
HY-N6771
Tocris Bioactive Compound Library
1235
Tocriscreen Total
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
336.15
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
5
Aromatic Ring Count
2
cLogP
2.83
TPSA
73.4
Fraction CSP3
0.4
Chiral centers
3.0
Largest ring
6.0
QED
0.79
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Primary Target
Ca2+-ATPase
MOA
Inhibitor
ATPase inhibitor
Target
ATP2A1
5-HT Receptor
Calcium Channel
MDM-2/p53
RSV
Pathway
Anti-infection
Apoptosis
GPCR/G protein
Membrane Transporter/Ion Channel
Neuronal Signaling
Source data