General
Preferred name
DRAQUINOLOL
Synonyms
HI-42 ()
H-I-42BS ()
P&D ID
PD161893
CAS
67793-71-9
Tags
available
drug candidate
Drug Status
investigational
Max Phase
2.0
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
2
ChEMBL Drugs
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
8
Properties
(calculated by RDKit )
Molecular Weight
410.22
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
2
Rotatable Bonds
7
Ring Count
3
Aromatic Ring Count
3
cLogP
3.34
TPSA
72.72
Fraction CSP3
0.38
Chiral centers
1.0
Largest ring
6.0
QED
0.63
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
