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Quick search ChEMBL 36
Compound Detail

CHEMBL388964

SIBIRIQUINONE A
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CC(C)C1=CC(=O)c2c(ccc3c2C=CCC3(C)C)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL388964
Name SIBIRIQUINONE A
Phase Preclinical
Structure Type MOL
InChI Key QLYRTJYMSVNUFC-UHFFFAOYSA-N
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

280.4
MW (Da)
4.34
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H20O2
MW 280.37
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 2.33

Activity Summary

IC50 6 meas. best 6.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha
CHEMBL2221345
 IC50 6.55 6.51 280.0 2
Hep 3B2
CHEMBL4296437
 IC50 6.4 5.93 400.0 2
AGS
CHEMBL613860
 IC50 4.67 4.56 21200.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha IC50 = 280.0 nM 6.55 Inhibition of HIF1 activation in human Hep3B cells assessed as inhibition of hyp... 17583950
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha IC50 = 340.0 nM 6.47 Inhibition of HIF1 activation in human AGS cells assessed as inhibition of hypox... 17583950
Hep 3B2 IC50 = 400.0 nM 6.4 Inhibition of hypoxia-induced HIF1alpha accumulation in Hep3B cells 17583950
Hep 3B2 IC50 = 3500.0 nM 5.46 Inhibition of hypoxia-induced secreted VEGF levels in Hep3B cells after 1 hr by ... 17583950
AGS IC50 = 21200.0 nM 4.67 Viability of human AGS cells under hypoxic conditions after 24 hrs by MTT assay 17583950
AGS IC50 = 35700.0 nM 4.45 Viability of human AGS cells under normoxic conditions after 24 hrs by MTT assay 17583950

Literature References

PubMed DOI Target Context # Activities
17583950 10.1021/np060482d Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha 2
17583950 10.1021/np060482d AGS 2
17583950 10.1021/np060482d NON-PROTEIN TARGET 2
17583950 10.1021/np060482d Hep 3B2 2
17583950 10.1021/np060482d Molecular identity unknown 1

Data from ChEMBL 36 via Core Engine