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Compound Detail

CHEMBL1349073

EFLOXATE
🧪 Phase II
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🧪 Phase II
CCOC(=O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1

Basic Information

ChEMBL ID CHEMBL1349073
Name EFLOXATE
Phase Phase II
Structure Type MOL
InChI Key ZVXBAHLOGZCFTP-UHFFFAOYSA-N

Known Names

Efloxate Efloxato NSC-758891
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
6
Publications
3
Known Names
1
Indications

Molecular Properties

324.3
MW (Da)
3.40
ALogP
5
HBA
0
HBD
65.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Stem ef-

Extended Properties

Molecular Formula C19H16O5
MW 324.33
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.16

Indications

Cardiovascular Diseases

ATC Classification

C01DX13
efloxate
Level 1: CARDIOVASCULAR SYSTEM
Level 2: CARDIAC THERAPY

Activity Summary

IC50 1 meas. best 6.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.71 6.71 195.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 300.0 mL.min-1.g-1 Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 195.0 nM 6.71 PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... -

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
22197392 10.1016/j.bmcl.2011.12.005 Liver microsomes 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine