General
Preferred name
Itrop
Synonyms
Sch 1000 ()
Atrovent ()
IPRATROPIUM BROMIDE ()
Ipratropium (bromide) ()
Ipratropium Bromide ()
P&D ID
PD098851
CAS
22254-24-6
Tags
natural product
available
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 ]]
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
12
Properties
(calculated by RDKit )
Molecular Weight
411.14
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
5
Ring Count
3
Aromatic Ring Count
1
cLogP
-0.14
TPSA
46.53
Fraction CSP3
0.65
Chiral centers
5.0
Largest ring
6.0
QED
0.54
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Neuroscience
Target
M3 mAChR
MOA
AChR antagonist
Source data
