General
Preferred name
Silybin B
Synonyms
Silibinin B ()
PRX-321 ()
P&D ID
PD054461
CAS
65666-07-1
142797-34-0
Tags
available
natural product
drug candidate
Drug indication
Solid tumour/cancer
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
4
Organisms
1
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
21
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 (Aggregator Advisor)
Aggregators
aggregator (ZINC)
Aggregators
Aggregator (Nuisance compounds in cellular assays)
Aggregators
Aggregation
Nuisance compounds in cellular assays
Related compounds
Custom attributes
(extracted from source data)
Target
Amyloid-¦Â
Amyloid-β
Therapeutic Class
Anticancer Agents
Pathway
Neuronal Signaling
Source data
