General
Preferred name
Dimethyl-W84 dibromide
Synonyms
Dimethyl-W84 (dibromide) ()
P&D ID
PD017069
CAS
402475-33-6
Tags
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()] ]]
Description
(extracted from source data)
DESCRIPTION
Dimethyl-W84 is a selective allosteric modulator of the M2 muscarinic acetylcholine receptor. It hinders the dissociation of the orthosteric antagonist N-methylscopolamine from the M2 receptor.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
2
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
8
Molecular Weight
734.2
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
0
Rotatable Bonds
15
Ring Count
4
Aromatic Ring Count
2
cLogP
-1.3
TPSA
74.76
Fraction CSP3
0.53
Chiral centers
0.0
Largest ring
6.0
QED
0.13
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
