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Compound Detail

CHEMBL393136

POMIFERIN
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CC(C)=CCc1c2c(c3occ(-c4ccc(O)c(O)c4)c(=O)c3c1O)C=CC(C)(C)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL393136
Name POMIFERIN
Phase Preclinical
Structure Type MOL
InChI Key GHCZYXUOYFOXIP-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

420.5
MW (Da)
5.27
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.39
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 C25H24O6
MW 420.46
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 2.62

Activity Summary

IC50 4 meas. best 5.98

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone deacetylase
CHEMBL2093865
 IC50 5.98 5.98 1050.0 1
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 5.04 4.585 9100.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histone deacetylase IC50 = 1050.0 nM 5.98 Inhibition of HDAC in HeLa cells 17662606
NON-PROTEIN TARGET IC50 = 9100.0 nM 5.04 Antioxidant activity assessed as hypochlorous acid scavenging activity by fluore... 23947936
NON-PROTEIN TARGET IC50 = 73300.0 nM 4.13 Antioxidant activity assessed as NADH/phenazine methosulfate generated superoxid... 23947936

Literature References

PubMed DOI Target Context # Activities
- 10.1584/jpestics.26.261 Ostrinia nubilalis 63
38116412 10.1021/acsmedchemlett.3c00274 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 10
23947936 10.1021/np400242e J774.A1 3
23947936 10.1021/np400242e NON-PROTEIN TARGET 3
38116412 10.1021/acsmedchemlett.3c00274 Serine/threonine-protein kinase 38-like 2
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
17662606 10.1016/j.bmcl.2007.06.060 PC-3 1
- 10.6019/CHEMBL4296183 Acinetobacter baumannii 1
- 10.6019/CHEMBL4296183 Staphylococcus aureus 1
37683361 10.1016/j.ejmech.2023.115791 BMDM 1
- 10.6019/CHEMBL4296183 Pseudomonas aeruginosa 1
- 10.6019/CHEMBL4296183 Escherichia coli 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1
17662606 10.1016/j.bmcl.2007.06.060 MDA-MB-231 1
17662606 10.1016/j.bmcl.2007.06.060 ACHN 1
17662606 10.1016/j.bmcl.2007.06.060 Histone deacetylase 1
23947936 10.1021/np400242e Unchecked 1
17662606 10.1016/j.bmcl.2007.06.060 NCI-H23 1
17662606 10.1016/j.bmcl.2007.06.060 Hepatocyte 1
17662606 10.1016/j.bmcl.2007.06.060 HCT-15 1

Data from ChEMBL 36 via Core Engine