General
Preferred name
THAPSIGARGIN
Synonyms
Thapsigargin (TG) ()
P&D ID
PD014829
CAS
123269-03-4
67526-95-8
Tags
available
natural product
drug candidate
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, cell-permeable, IP3-independent intracellular calcium releaser (LOPAC library)
Cell lines
660
Organisms
5
Compound Sets
7
CZ-OPENSCREEN Bioactive Library
DrugMAP
DMDMQIE
Guide to Pharmacology
5351
LOPAC library
MedChem Express Bioactive Compound Library
HY-13433
Novartis Chemogenetic Library (NIBR MoA Box)
Welcome Trust Cancer Drugs
180
External IDs
27
Properties
(calculated by RDKit )
Molecular Weight
650.33
Hydrogen Bond Acceptors
12
Hydrogen Bond Donors
2
Rotatable Bonds
13
Ring Count
3
Aromatic Ring Count
0
cLogP
3.93
TPSA
171.96
Fraction CSP3
0.74
Chiral centers
8.0
Largest ring
7.0
QED
0.1
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
ATPase, Ca++ transporting, cardiac muscle, slow twitch 2
Apoptosis
Calcium Channel
SARS-CoV
Member status
member
MOA
ER stress inducer
Calcium ATPase inhibitor
Pathway
Anti-infection
Membrane Transporter/Ion Channel
Neuronal Signaling
Source data