General
Preferred name
TRIPTOLIDE
Synonyms
PG490 ()
NSC 163062 ()
TRIPTOLIDEN/A ()
Triptolide (PG490) ()
NSC-163062 ()
Triptolide-d3 ()
P&D ID
PD000121
CAS
144539-79-7
38748-32-2
Tags
drug candidate
natural product
available
Drug indication
Autoimmune diabetes
Drug Status
investigational
Max Phase
Phase 3
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 Inhibits RNAPII-mediated transcription; antitumor, anti-inflammatory and immunosuppressive (Tocriscreen Plus)
DESCRIPTION Potent kynurenine 3-monooxygenase (KMO) inhibitor (Tocris Bioactive Compound Library)
Cell lines
37
Organisms
0
Compound Sets
17
Cayman Chemical Bioactives
11973
34895
ChEMBL Drugs
CHEMBL463763
Drug Repurposing Hub
DrugBank
DB12025
DrugMAP
DMCMDVR
EU-OPENSCREEN Bioactive Compound Library
EOS100990
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL463763
MedChem Express Bioactive Compound Library
HY-32735
NIH Clinical Collections (NCC)
Novartis Chemogenetic Library (NIBR MoA Box)
ReFrame library
Selleckchem Bioactive Compound Library
triptolide
TargetMol Bioactive Compound Library
T2179
The Spectrum Collection
Tocris Bioactive Compound Library
3253
Tocriscreen Plus
3253
ZINC Tool Compounds
ZINC000008234271
External IDs
37
Properties
(calculated by RDKit )
Molecular Weight
360.16
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
7
Aromatic Ring Count
0
cLogP
1.1
TPSA
84.12
Fraction CSP3
0.85
Chiral centers
9.0
Largest ring
6.0
QED
0.56
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target Type
Enzymes
Pathway
NF-¦ÊB
Cytoskeletal Signaling
Apoptosis
Metabolism
NF-??
NF-κB
Target
heat shock factor (HSF1)( in ALL cell lines)
MDM2
RELA
ADC Cytotoxin,Apoptosis related,HSP (HSP90),MDM2/MDMX,NF-¦ÊB
Primary Target
RNA/DNA Polymerase
Member status
virtual
MOA
"ERCC3 (TFIIH subunit)
Immunosuppressants
dCTP Pyrophosphatase 1 (DCTPP1) Inhibitors"
ERCC3 (TFIIH subunit)
dCTP Pyrophosphatase 1 (DCTPP1) Inhibitors
RNA polymerase inhibitor
Source data