General
Preferred name
[3H]QNB
Synonyms
3-quinuclidinyl-benzilate ()
QUINUCLIDINYL BENZILATE ()
P&D ID
PD041744
CAS
4478-53-9
62869-69-6
160902-51-2
6581-06-2
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 Quinuclidinyl benzilate is a anticholinergic glycolate that acts as a competitive, non-selective antagonist of muscarinic receptors in cardiac muscle, smooth muscle, exocrine glands and at postsynaptic receptors in neurons. It is a non-lethal incapacitating chemical warfare agent controlled under schedule 2 of the Chemical Weapons Convention of 1997. (GtoPdb)
Cell lines
0
Organisms
3
Compound Sets
6
Concise Guide to Pharmacology 2017/18
318
Concise Guide to Pharmacology 2019/20
318
Concise Guide to Pharmacology 2021/22
318
Concise Guide to Pharmacology 2023/24
318
DrugMAP
DMC1WHR
Guide to Pharmacology
3260
318
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
337.17
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
5
Aromatic Ring Count
2
cLogP
2.56
TPSA
49.77
Fraction CSP3
0.38
Chiral centers
1.0
Largest ring
6.0
QED
0.87
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data