General
Preferred name
SILIBININ
Synonyms
Silybin ()
Silymarin ()
Silibinin a-silibinin b mixt. ()
Legalon ()
Silliver ()
Silibinina ()
Silibin ()
Silibinine ()
Silybine ()
P&D ID
PD016362
CAS
802918-57-6
Tags
available
drug candidate
Drug Status
investigational
Max Phase
3.0
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
8
Organisms
2
Compound Sets
3
Axon Medchem Screening Library
ChEMBL Drugs
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
482.12
Hydrogen Bond Acceptors
10
Hydrogen Bond Donors
5
Rotatable Bonds
4
Ring Count
5
Aromatic Ring Count
3
cLogP
2.36
TPSA
155.14
Fraction CSP3
0.24
Chiral centers
4.0
Largest ring
6.0
QED
0.37
Structural alerts
4
aggregator (ZINC)
Aggregators
aggregator (Aggregator Advisor)
Aggregators
Aggregator (Nuisance compounds)
Aggregators
Aggregation
Nuisance compounds
Related compounds
Custom attributes
(extracted from source data)
Target
Natural Anti-cancer agent
Pathway
Apoptosis
Source data
