Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL130968

BUTANTRONE
🧪 Phase II
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
🧪 Phase II
CCCC(=O)C1c2cccc(O)c2C(=O)c2c(O)cccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL130968
Name BUTANTRONE
Phase Phase II
Structure Type MOL
InChI Key AHZXFRRDQXXPJD-UHFFFAOYSA-N

Known Names

Butantrona Butantrone
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
2
Known Names

Molecular Properties

296.3
MW (Da)
3.14
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -antrone

Extended Properties

Molecular Formula C18H16O4
MW 296.32
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.72

Activity Summary

IC50 2 meas. best 5.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Arachidonate 5-lipoxygenase
CHEMBL2980
 IC50 5.4 4.94 4000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Arachidonate 5-lipoxygenase IC50 = 4000.0 nM 5.4 Tested for the inhibition of lipid peroxidation in bovine brain phospholipid lip... 8258834
Arachidonate 5-lipoxygenase IC50 = 33000.0 nM 4.48 Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosyn... 8258834

Literature References

PubMed DOI Target Context # Activities
8258834 10.1021/jm00077a015 Arachidonate 5-lipoxygenase 2
8258834 10.1021/jm00077a015 ADMET 1
8258834 10.1021/jm00077a015 Unchecked 1

Data from ChEMBL 36 via Core Engine