General
Preferred name
inositol 2,4,5-trisphosphate
Synonyms
D-myo-Inositol-2,4,5-triphosphate (sodium salt) ()
P&D ID
PD059549
CAS
91840-07-2
Tags
available
drug candidate
Drug indication
Discovery agent
Drug Status
experimental
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 ]]
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
18
Properties
(calculated by RDKit )
Molecular Weight
419.96
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
9
Rotatable Bonds
6
Ring Count
1
Aromatic Ring Count
0
cLogP
-3.48
TPSA
260.97
Fraction CSP3
1.0
Chiral centers
6.0
Largest ring
6.0
QED
0.19
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
