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Compound Detail

CHEMBL2208388

CAESALPINIAPHENOL B
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O=C1OCC=C1C[C@@]1(O)COc2cc(O)ccc2C1=O

Basic Information

ChEMBL ID CHEMBL2208388
Name CAESALPINIAPHENOL B
Phase Preclinical
Structure Type MOL
InChI Key KCUVXAULFNGKQN-CQSZACIVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

276.2
MW (Da)
0.57
ALogP
6
HBA
2
HBD
93.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C14H12O6
MW 276.24
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 2.72

Activity Summary

IC50 1 meas. best 4.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
No relevant target
CHEMBL2362975
IC50 4.02 4.02 95620.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
No relevant target IC50 = 95620.0 nM 4.02 Antioxidant activity assessed as nitric oxide free radical scavenging activity b... 23234407

Literature References

PubMed DOI Target Context # Activities
23234407 10.1021/np3003673 RAW264.7 4
23234407 10.1021/np3003673 No relevant target 1

Data from ChEMBL 36 via Core Engine