General
Preferred name
METHOCTRAMINE
Synonyms
Methoctramine tetrahydrochloride ()
Methoctramine (hydrate) ()
Methoctramine (tetrahydrochloride) ()
METHOCTRAMINE HYDROCHLORIDE ()
P&D ID
PD051708
CAS
3967-44-0
104807-46-7
104807-40-1
Tags
available
drug candidate
Drug indication
Discovery agent
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Selective M2 muscarinic acetylcholine receptor antagonist (LOPAC library)
DESCRIPTION Methoctramine is a selective M2 muscarinic acetylcholine receptor (mAChR) antagonist. Study shows that methoctramine inhibited the bradycardia induced by both vagal stimulation and ACh (ED50: 38 +/- 5 and 38 +/- 9 nmol kg-1, respectively), and facilitated vagally-induced bronchoconstriction (ED50: 58 +/- 5 nmol kg-1). At higher concentrations, methoctramine reduced responses to both nerve stimulation and exogenous ACh, indicating blockade of post-junctional muscarinic M3 receptors. (BOC Sciences Bioactive Compounds)
Cell lines
0
Organisms
2
Compound Sets
11
BOC Sciences Bioactive Compounds
methoctramine-hemihydrate-cas-104807-46-7-item-302483
Cayman Chemical Bioactives
24317
DrugMAP
DMH2CKX
DrugMatrix
Guide to Pharmacology
327
Ki Database
METHOCTRAMINE
LOPAC library
MedChem Express Bioactive Compound Library
HY-116294A
Novartis Chemogenetic Library (NIBR MoA Box)
Other bioactive compounds
ReFrame library
External IDs
33
Properties
(calculated by RDKit )
Molecular Weight
582.49
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
4
Rotatable Bonds
29
Ring Count
2
Aromatic Ring Count
2
cLogP
7.22
TPSA
66.58
Fraction CSP3
0.67
Chiral centers
0.0
Largest ring
6.0
QED
0.08
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Selectivity
M2
Member status
member
MOA
Muscarinic M2 Antagonists
Pathway
GPCR/G protein
Neuronal Signaling
Target
mAChR
Source data