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Compound Detail

CHEMBL5432394

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CCCCCCCCCCCC1=C(O)C(=O)C(Cc2ccc(N(C)C)cc2)=C(O)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5432394
Phase Preclinical
Structure Type MOL
InChI Key ZTTXGMAKXJBHFG-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

427.6
MW (Da)
5.99
ALogP
5
HBA
2
HBD
77.8
PSA (Ų)
0.30
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H37NO4
MW 427.59
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness 0.42

Activity Summary

IC50 2 meas. best 5.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
No relevant target
CHEMBL2362975
 IC50 5.54 5.505 2910.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
No relevant target IC50 = 2910.0 nM 5.54 Antioxidant activity assessed as ABTS radical scavenging activity after 6 mins b... 38389875
No relevant target IC50 = 3370.0 nM 5.47 Antioxidant activity assessed as DPPH radical scavenging activity after 30 mins ... 38389875

Literature References

PubMed DOI Target Context # Activities
38389875 10.1039/d3md00564j ADMET 5
38389875 10.1039/d3md00564j No relevant target 4

Data from ChEMBL 36 via Core Engine