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Compound Detail

CHEMBL5866168

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Cc1nnc(/C=C/c2ccc(Oc3c(-c4ccc(F)cc4C)sc4cc(O)ccc34)cc2)o1

Basic Information

ChEMBL ID CHEMBL5866168
Phase Preclinical
Structure Type MOL
InChI Key LFVQLVLCGBOIGI-LFYBBSHMSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

458.5
MW (Da)
7.38
ALogP
6
HBA
1
HBD
68.4
PSA (Ų)
0.30
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H19FN2O3S
MW 458.51
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -0.61

Activity Summary

IC50 2 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Estrogen receptor
CHEMBL206
IC50 8.3 7.635 5.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine