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Compound Detail

CHEMBL5955907

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CC1Cc2c(sc3ccccc23)C(c2c(F)cc(/C=C/C(=O)O)cc2F)N1CC(C)(C)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5955907
Phase Preclinical
Structure Type MOL
InChI Key ZCYXAUDOYRULLH-CMDGGOBGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

459.5
MW (Da)
6.36
ALogP
3
HBA
1
HBD
40.5
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24F3NO2S
MW 459.53
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.31

Activity Summary

IC50 1 meas. best 8.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G-protein coupled estrogen receptor 1
CHEMBL5872
 IC50 8.9 8.9 1.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
G-protein coupled estrogen receptor 1 IC50 = 1.25 nM 8.9 Biological Assay: The compounds of the present invention have an inhibition effe... -

Data from ChEMBL 36 via Core Engine