General
Preferred name
TRETOQUINOL
Synonyms
TRETOQUINOL HYDROCHLORIDE ()
Dl-trimetoquinol ()
Racemic-trimetoquinol ()
RO-07-5965 ()
Tretoquinol, (-)- ()
Trimetoquinol hydrochloride ()
(-)-tretoquinol ()
S-(-)-tretoquinol ()
Inolin ()
Tretoquinol hydrochloride hydrate ()
NSC-288748 ()
P&D ID
PD013999
CAS
30418-38-3
Tags
drug
Drug Status
approved
experimental
investigational
Max Phase
2.0
Drug indication
Airway obstruction
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
0
Organisms
1
Compound Sets
5
ChEMBL Drugs
DrugBank
DrugCentral
DrugCentral Approved Drugs
NPC Screening Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
17
Properties
(calculated by RDKit )
Molecular Weight
345.16
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
3
Rotatable Bonds
5
Ring Count
3
Aromatic Ring Count
2
cLogP
2.55
TPSA
80.18
Fraction CSP3
0.37
Chiral centers
1.0
Largest ring
6.0
QED
0.72
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
