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Compound Detail

CHEMBL3309625

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CCCCCCCc1c(C)c(O)cc2c1[nH]c1ccccc12

Basic Information

ChEMBL ID CHEMBL3309625
Phase Preclinical
Structure Type MOL
InChI Key ADLBIVFEKWBVKQ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

295.4
MW (Da)
5.85
ALogP
1
HBA
2
HBD
36.0
PSA (Ų)
0.55
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H25NO
MW 295.43
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness 0.99

Activity Summary

IC50 2 meas. best 4.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
No relevant target
CHEMBL2362975
IC50 4.92 4.92 12000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
No relevant target IC50 = 12000.0 nM 4.92 Antioxidant activity assessed as DPPH radical scavenging capacity after 30 mins ... 24928405

Literature References

PubMed DOI Target Context # Activities
24928405 10.1016/j.bmcl.2014.05.050 No relevant target 3
24928405 10.1016/j.bmcl.2014.05.050 ADMET 1

Data from ChEMBL 36 via Core Engine