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Compound Detail

CHEMBL1342063

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CCOc1ccc(C(=O)OCC(=O)NCc2ccco2)cc1OCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1342063
Phase Preclinical
Structure Type MOL
InChI Key FNVAUFXJWDEMQS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
2.55
ALogP
6
HBA
1
HBD
87.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21NO6
MW 347.37
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.43

Activity Summary

IC50 1 meas. best 6.95

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Estrogen receptor beta
CHEMBL242
 IC50 6.95 6.95 112.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Estrogen receptor beta IC50 = 112.84 nM 6.95 PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Se... -

Data from ChEMBL 36 via Core Engine