General
Preferred name
IdB-1056
Synonyms
DELPHINIDIN ()
Deplhinidin ()
Delphinidin (chloride) ()
DELPHINIDIN CHLORIDE ()
P&D ID
PD062974
CAS
528-53-0
13270-61-6
8012-95-1
Tags
available
nuisance
drug candidate
Drug indication
Cardiovascular disease
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
1
Organisms
0
Compound Sets
7
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
45
Properties
(calculated by RDKit )
Molecular Weight
303.05
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
6
Rotatable Bonds
1
Ring Count
3
Aromatic Ring Count
3
cLogP
2.61
TPSA
132.68
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.3
Structural alerts
2
Aggregator (Nuisance compounds)
Aggregators
Aggregation
Nuisance compounds
Related compounds
Custom attributes
(extracted from source data)
Target
GLO1
EGFR
JAK
STAT
MOA
membrane permeability inhibitor
Pathway
Apoptosis
Epigenetics
JAK/STAT Signaling
Protein Tyrosine Kinase/RTK
Stem Cell/Wnt
Source data
