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Compound Detail

CHEMBL5895577

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CCc1cccc(CC)c1-c1sc2cc(O)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1

Basic Information

ChEMBL ID CHEMBL5895577
Phase Preclinical
Structure Type MOL
InChI Key QGXZCQRJXQKFBE-XNTDXEJSSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

444.6
MW (Da)
7.29
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.29
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H24O4S
MW 444.55
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness 0.03

Activity Summary

IC50 2 meas. best 8.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Estrogen receptor
CHEMBL206
IC50 8.29 7.3 5.1 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine