General
Preferred name
EMODEPSIDE
Synonyms
Bay 44-4400 ()
QHT06, BAY 44-4400, PF 1022-221 ()
PF-1022-221 ()
BAY 44-4400 ()
BAY-44-4400 ()
PF 1022-221 ()
P&D ID
PD077493
CAS
155030-63-0
Tags
natural product
drug
available
Drug Status
investigational
approved
vet_approved
Approved by
FDA
Max Phase
Phase 2
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
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
1118.65
Hydrogen Bond Acceptors
16
Hydrogen Bond Donors
0
Rotatable Bonds
14
Ring Count
5
Aromatic Ring Count
2
cLogP
5.34
TPSA
211.38
Fraction CSP3
0.67
Chiral centers
8.0
Largest ring
24.0
QED
0.17
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Microbiology&virology
Target
Parasite
Parasite,Potassium Channel
Source data
