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Compound Detail

CHEMBL249856

ENOXIMONE
🧪 Phase III
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🧪 Phase III
CSc1ccc(C(=O)c2[nH]c(=O)[nH]c2C)cc1

Basic Information

ChEMBL ID CHEMBL249856
Name ENOXIMONE
Phase Phase III
Structure Type MOL
InChI Key ZJKNESGOIKRXQY-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Enoximona Enoximone MDL 17,043 MDL-17043 Perfan
5
Targets
13
Activities
2
Assay Types
7
PK Parameters
20
Publications
5
Known Names
3
Indications
1
Mechanisms

Molecular Properties

248.3
MW (Da)
1.96
ALogP
3
HBA
2
HBD
65.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Year 1986

Extended Properties

Molecular Formula C12H12N2O2S
MW 248.31
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.04

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Phosphodiesterase 3 inhibitor INHIBITOR Phosphodiesterase 3

Indications

Cardiovascular Diseases Coronary Disease Heart Failure

ATC Classification

C01CE03
enoximone
Level 1: CARDIOVASCULAR SYSTEM
Level 2: CARDIAC THERAPY

Activity Summary

IC50 11 meas. best 5.57
EC50 2 meas. best 4.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphodiesterase; PDE3 & PDE4
CHEMBL2095153
IC50 5.57 5.57 2700.0 1
Phosphodiesterase 4
CHEMBL2093863
IC50 5.54 5.42 2900.0 2
Phosphodiesterase 3
CHEMBL2094125
IC50 5.42 5.04 3800.0 5
Homo sapiens
CHEMBL372
IC50 4.82 4.82 15000.0 1
Felis catus
CHEMBL612670
EC50 4.05 4.05 90000.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 29.0 mL.min-1.kg-1 Homo sapiens
CL 29.0 mL.min-1.kg-1 Homo sapiens
F 79.0 % Homo sapiens
F 53.0 % Homo sapiens
Fu 0.3 - Homo sapiens
MRT 1.0 hr Homo sapiens
T1/2 1.0 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
2536438 10.1021/jm00122a011 Canis familiaris 6
18426954 10.1124/dmd.108.020479 ADMET 4
3033241 10.1021/jm00388a014 Canis familiaris 3
2153209 10.1021/jm00163a052 Phosphodiesterase 4 3
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 3
20014752 10.1021/tx900326k Hepatotoxicity 3
7154009 10.1021/jm00354a017 Canis familiaris 3
3039132 10.1021/jm00391a013 Canis familiaris 3
37468498 10.1038/s41467-023-40064-9 Cannabinoid receptor 1 3
10891117 10.1021/jm0000564 ADMET 2
10891117 10.1021/jm0000564 No relevant target 2
2536438 10.1021/jm00122a011 Homo sapiens 2
2153209 10.1021/jm00163a052 Canis familiaris 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
2845085 10.1021/jm00118a034 Canis familiaris 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2

Data from ChEMBL 36 via Core Engine