General
Preferred name
MODIPAFANT
Synonyms
UK-74505 ()
(Rac)-Modipafant ()
P&D ID
PD066116
CAS
122956-68-7
Tags
available
drug candidate
Drug indication
Sepsis
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
4
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
12
Properties
(calculated by RDKit )
Molecular Weight
604.2
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
2
Rotatable Bonds
7
Ring Count
6
Aromatic Ring Count
5
cLogP
6.35
TPSA
111.03
Fraction CSP3
0.15
Chiral centers
1.0
Largest ring
6.0
QED
0.21
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Anti-infection
Target
Dengue virus
Flavivirus
Source data
