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Compound Detail

CHEMBL1555736

ETHAVERINE
🧪 Phase II
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🧪 Phase II
CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC

Basic Information

ChEMBL ID CHEMBL1555736
Name ETHAVERINE
Phase Phase II
Structure Type MOL
InChI Key ZOWYFYXTIWQBEP-UHFFFAOYSA-N

Known Names

Etaverina Ethaverine Ethquinol
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
3
Known Names

Molecular Properties

395.5
MW (Da)
5.42
ALogP
5
HBA
0
HBD
49.8
PSA (Ų)
0.46
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Stem -verine

Extended Properties

Molecular Formula C24H29NO4
MW 395.50
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.11

Activity Summary

IC50 1 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.4 6.4 400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 400.0 nM 6.4 Inhibition of bovine aortic PDE4 using cAMP as substrate in presence of cGMP 21920746

Literature References

PubMed DOI Target Context # Activities
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
37468498 10.1038/s41467-023-40064-9 Prostaglandin G/H synthase 1 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M1 2
37468498 10.1038/s41467-023-40064-9 Sodium-dependent serotonin transporter 1
37468498 10.1038/s41467-023-40064-9 D(3) dopamine receptor 1
37468498 10.1038/s41467-023-40064-9 Vascular endothelial growth factor receptor 2 1
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 1
37468498 10.1038/s41467-023-40064-9 Amine oxidase [flavin-containing] A 1
37468498 10.1038/s41467-023-40064-9 Mu-type opioid receptor 1
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 1
21920746 10.1016/j.bmcl.2011.08.036 Unchecked 1
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 1
37468498 10.1038/s41467-023-40064-9 Acetylcholinesterase 1
37468498 10.1038/s41467-023-40064-9 Estrogen receptor 1
37468498 10.1038/s41467-023-40064-9 Sodium-dependent dopamine transporter 1
37468498 10.1038/s41467-023-40064-9 Voltage-gated inwardly rectifying potassium channel KCNH2 1
37468498 10.1038/s41467-023-40064-9 D(1A) dopamine receptor 1

Data from ChEMBL 36 via Core Engine