General
Preferred name
IOBITRIDOL
Synonyms
P&D ID
PD072048
CAS
136949-58-1
Tags
natural product
drug
available
Drug Status
investigational
approved
Max Phase
Phase 3
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
7
ChEMBL Drugs
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMatrix
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
834.9
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
7
Rotatable Bonds
12
Ring Count
1
Aromatic Ring Count
1
cLogP
-1.11
TPSA
191.1
Fraction CSP3
0.55
Chiral centers
2.0
Largest ring
6.0
QED
0.13
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
