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Compound Detail

CHEMBL465371

KAZINOL B
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CC(C)=CCc1c([C@@H]2CCc3ccc(O)cc3O2)cc2c(c1O)OC(C)(C)C=C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL465371
Name KAZINOL B
Phase Preclinical
Structure Type MOL
InChI Key QSCBHDIGHKHWKC-NRFANRHFSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

392.5
MW (Da)
5.86
ALogP
4
HBA
2
HBD
58.9
PSA (Ų)
0.64
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C25H28O4
MW 392.50
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 2.73

Activity Summary

IC50 4 meas. best 4.53

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAW264.7
CHEMBL612557
 IC50 4.53 4.53 29310.0 1
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 4.49 4.49 32600.0 1
Hep 3B2
CHEMBL4296437
 IC50 4.41 4.41 39000.0 1
HepG2
CHEMBL395
 IC50 4.23 4.23 58400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAW264.7 IC50 = 29310.0 nM 4.53 Antiinflammatory activity against mouse RAW264.7 cells assessed as reduction of ... 37683361
NON-PROTEIN TARGET IC50 = 32600.0 nM 4.49 Antiplatelet activity against rabbit platelets assessed as arachidonic acid-indu... 8864236
Hep 3B2 IC50 = 39000.0 nM 4.41 Cytotoxicity against human Hep3B cells by MTT assay 28371676
HepG2 IC50 = 58400.0 nM 4.23 Cytotoxicity against human HepG2 cells by MTT assay 28371676

Literature References

PubMed DOI Target Context # Activities
8864236 10.1021/np960376j NON-PROTEIN TARGET 8
28371676 10.1016/j.ejmech.2017.03.072 HepG2 2
28371676 10.1016/j.ejmech.2017.03.072 A549 2
28371676 10.1016/j.ejmech.2017.03.072 MCF7 2
28371676 10.1016/j.ejmech.2017.03.072 Hep 3B2 2
8864236 10.1021/np960376j Unchecked 1
16038536 10.1021/np049655u Prostaglandin G/H synthase 2 1
16038536 10.1021/np049655u Prostaglandin G/H synthase 1 1
37683361 10.1016/j.ejmech.2023.115791 RAW264.7 1

Data from ChEMBL 36 via Core Engine