General
Preferred name
DIOSCIN
Synonyms
CCRIS 4123 ()
Collettiside III ()
Saponin ()
Dioscin (Collettiside III) ()
Collettiside III, Saponin ()
Dioscin ()
P&D ID
PD012045
CAS
19057-60-4
Tags
drug candidate
nuisance
natural product
available
Drug indication
Hepatic fibrosis
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
22
Organisms
0
Compound Sets
10
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
Drug Repurposing Hub
DrugMAP
EU-OPENSCREEN Bioactive Compound Library
Guide to Pharmacology
MedChem Express Bioactive Compound Library
Nuisance compounds in cellular assays
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
27
Properties
(calculated by RDKit )
Molecular Weight
868.48
Hydrogen Bond Acceptors
16
Hydrogen Bond Donors
8
Rotatable Bonds
7
Ring Count
9
Aromatic Ring Count
0
cLogP
1.24
TPSA
235.68
Fraction CSP3
0.96
Chiral centers
26.0
Largest ring
6.0
QED
0.17
Structural alerts
1
Saponin/tannin
Detergent-like effects
Nuisance compounds in cellular assays
Related compounds
Custom attributes
(extracted from source data)
Pathway
Autophagy
Apoptosis
Target
CXCR3
MOA
apoptosis stimulant
Source data
