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Compound Detail

CHEMBL2111176

VALETHAMATE
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CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2111176
Name VALETHAMATE
Phase Preclinical
Structure Type MOL
InChI Key UPPMZCXMQRVMME-UHFFFAOYSA-N

Known Names

Valethamate Valethamate cation Valethamate ion
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
3
Known Names
1
Indications

Molecular Properties

306.5
MW (Da)
3.85
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic

Extended Properties

Molecular Formula C19H32NO2+
MW 306.47
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.04

Indications

Digestive System Diseases

ATC Classification

A03AX14
valethamate
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.1101/2020.04.21.054387 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine