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Compound Detail

CHEMBL3947355

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C=C(C)C(O)Cc1c(OC)c(O)cc2oc3c4c(cc(O)c3c(=O)c12)OC(CO)C4(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3947355
Phase Preclinical
Structure Type MOL
InChI Key MELTVOCEXJVGBK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

442.5
MW (Da)
2.88
ALogP
8
HBA
4
HBD
129.6
PSA (Ų)
0.35
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C24H26O8
MW 442.46
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness 2.71

Activity Summary

EC50 1 meas. best 4.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 EC50 4.54 4.54 28500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET EC50 = 28500.0 nM 4.54 Neuroprotective activity in human SH-SY5Y cells assessed as reduction in oxygen ... 27420919

Literature References

PubMed DOI Target Context # Activities
27420919 10.1021/acs.jnatprod.6b00204 NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine