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Compound Detail

CHEMBL6014766

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CC(C)c1ncoc1-c1sc2cc(O)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1

Basic Information

ChEMBL ID CHEMBL6014766
Phase Preclinical
Structure Type MOL
InChI Key GWMBSHZMBRRQSK-BJMVGYQFSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

421.5
MW (Da)
6.28
ALogP
6
HBA
2
HBD
92.8
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19NO5S
MW 421.47
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.02

Activity Summary

IC50 2 meas. best 8.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Estrogen receptor
CHEMBL206
IC50 8.28 7.425 5.3 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine