General
Preferred name
Iophendylate
Synonyms
Pantopaque ()
Ethyl 10-(iodophenyl)undecanoate ()
Jofendylate ()
Iofendylate ()
Ethyl 10-(p-iodophenyl)undecylate ()
P&D ID
PD052329
CAS
99-79-6
Tags
available
drug
Drug Status
approved
withdrawn
Max Phase
Phase 4
Drug indication
Diagnostic Aid (radiopaque medium)
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 ]]
Compound Sets
4
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
17
Properties
(calculated by RDKit )
Molecular Weight
416.12
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
11
Ring Count
1
Aromatic Ring Count
1
cLogP
6.08
TPSA
26.3
Fraction CSP3
0.63
Chiral centers
1.0
Largest ring
6.0
QED
0.25
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
ATC
V08AD04
Toxicity type
multiple
Source data
