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Compound Detail

CHEMBL9249

(+)-EPITAXIFOLIN
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O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)c(O)c2)[C@H]1O

Basic Information

ChEMBL ID CHEMBL9249
Name (+)-EPITAXIFOLIN
Phase Preclinical
Structure Type MOL
InChI Key CXQWRCVTCMQVQX-GJZGRUSLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

304.2
MW (Da)
1.19
ALogP
7
HBA
5
HBD
127.5
PSA (Ų)
0.50
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 C15H12O7
MW 304.25
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 2.30

Activity Summary

Kd 1 meas. best 5.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sclerostin
CHEMBL3580487
Kd 5.58 5.58 2632.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sclerostin Kd = 2632.0 nM 5.58 Binding affinity to SOST (unknown origin) by SPR analysis 38677061

Literature References

PubMed DOI Target Context # Activities
12643908 10.1016/s0960-894x(03)00088-x Mus musculus 4
20189399 10.1016/j.bmc.2010.01.046 Unchecked 4
38677061 10.1016/j.ejmech.2024.116414 Sclerostin 3
20189399 10.1016/j.bmc.2010.01.046 ADMET 1
23642481 10.1016/j.bmcl.2013.04.013 3T3-L1 1
23642481 10.1016/j.bmcl.2013.04.013 Pancreatic triacylglycerol lipase 1

Data from ChEMBL 36 via Core Engine