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Compound Detail

CHEMBL1542814

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COC(=O)C1(Cc2ccc(O)cc2)OC(=O)C(O)=C1c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1542814
Phase Preclinical
Structure Type MOL
InChI Key AEKPZNDJHWFONI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

356.3
MW (Da)
2.08
ALogP
7
HBA
3
HBD
113.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H16O7
MW 356.33
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 1.31

Activity Summary

IC50 1 meas. best 4.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HEK293
CHEMBL614818
 IC50 4.25 4.25 56055.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HEK293 IC50 = 56055.0 nM 4.25 PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the orphan nuclear receptor su... -

Data from ChEMBL 36 via Core Engine