General
Preferred name
ABLUKAST
Synonyms
ABLUKAST SODIUM ()
Ro 23-3544 ()
Ro-23-3544 ()
RO 23-3544/000 ()
RO 23-3544/001 ()
RO-233544001 ()
Ulpax ()
P&D ID
PD071516
CAS
96566-25-5
131147-29-0
96565-55-8
Tags
available
drug candidate
Drug indication
Anti-Asthmatic (leukotriene antagonist)
Asthma
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
2
Compound Sets
5
ChEMBL Drugs
DrugMAP
DrugMatrix
MedChem Express Bioactive Compound Library
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
498.23
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
2
Rotatable Bonds
13
Ring Count
3
Aromatic Ring Count
2
cLogP
5.16
TPSA
119.36
Fraction CSP3
0.46
Chiral centers
1.0
Largest ring
6.0
QED
0.29
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
GPCR/G protein
Target
Leukotriene Receptor
Source data
