General
Preferred name
Indirubin
Synonyms
C.I. 75790 ()
NSC-105327 ()
Couroupitine B ()
P&D ID
PD010731
CAS
479-41-4
Tags
drug candidate
natural product
available
Drug Status
investigational
Max Phase
Phase 2
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
9
Organisms
1
Compound Sets
5
Cayman Chemical Bioactives
ChEMBL Drugs
Drug Repurposing Hub
LSP-MoA library (Laboratory of Systems Pharmacology)
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
262.07
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
0
Ring Count
4
Aromatic Ring Count
2
cLogP
2.66
TPSA
58.2
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.72
Structural alerts
2
aggregator (Aggregator Advisor)
Aggregators
aggregator (ZINC)
Aggregators
Related compounds
Custom attributes
(extracted from source data)
Target
CDK1, CDK5, GSK3A
MOA
CDK inhibitor, glycogen synthase kinase inhibitor
Source data
