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Compound Detail

CHEMBL5403108

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CCCCCCCCCCCC1=C(O)C(=O)C(Cc2cc(OC)c(OC)c(OC)c2)=C(O)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5403108
Phase Preclinical
Structure Type MOL
InChI Key DMCVPLPZXBAAPS-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

474.6
MW (Da)
5.95
ALogP
7
HBA
2
HBD
102.3
PSA (Ų)
0.24
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H38O7
MW 474.59
Aromatic Rings 1
Heavy Atoms 34
NP-Likeness 0.77

Activity Summary

IC50 2 meas. best 5.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
No relevant target
CHEMBL2362975
 IC50 5.61 5.57 2440.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
No relevant target IC50 = 2440.0 nM 5.61 Antioxidant activity assessed as ABTS radical scavenging activity after 6 mins b... 38389875
No relevant target IC50 = 2950.0 nM 5.53 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