General
Preferred name
TRYPTANTHRIN
Synonyms
COUROUPITINE A ()
TCMDC-125859 ()
GNF-Pf-2691 ()
P&D ID
PD017565
CAS
13220-57-0
Tags
drug candidate
natural product
probe
available
Drug indication
Discovery agent
Probe info
Probe type
calculated probe
Probe sources
Probe Miner (suitable probes)
Probe targets
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 Tryptanthrin acts as an inhibitor of indoleamine 2,3-dioxygenase 1 (IDO1) . Tryptanthrin is found in plants used in traditional Chinese medicine (Persicaria tinctorium and Isatis tinctoria). (GtoPdb)
Cell lines
19
Organisms
2
Compound Sets
12
Cayman Chemical Bioactives
17913
Drug Repurposing Hub
DrugMAP
DMTRYCI
DrugMatrix
EU-OPENSCREEN Bioactive Compound Library
EOS102307
Guide to Pharmacology
8224
MedChem Express Bioactive Compound Library
HY-N6607
Novartis Chemogenetic Library (NIBR MoA Box)
Probe Miner (suitable probes)
P35354/1122534
ReFrame library
Selleckchem Bioactive Compound Library
tryptanthrin
TargetMol Bioactive Compound Library
T7786
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
248.06
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
4
Aromatic Ring Count
3
cLogP
1.93
TPSA
51.96
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.48
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
DNA Damage/DNA Repair
Apoptosis
GPCR/G protein
Immunology/Inflammation
NF-κB
Target
DNA gyrase
IDO1
COX
Interleukin Related
Leukotriene Receptor
NO Synthase
TNF Receptor
Immunology & Inflammation related
Member status
member
MOA
5-Lipoxygenase Inhibitors
Hepatocyte Growth Factor (HGF) Antagonists
Cyclooxygenase-2 Inhibitors
cyclooxygenase inhibitor
Source data