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Compound Detail

CHEMBL5812828

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C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)SCCOCCOCCP(=O)(O)O

Basic Information

ChEMBL ID CHEMBL5812828
Phase Preclinical
Structure Type MOL
InChI Key JSNLQEVTILZGHC-LXFQVNARSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

608.6
MW (Da)
2.75
ALogP
8
HBA
4
HBD
150.6
PSA (Ų)
0.22
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H39F2O9PS
MW 608.64
Aromatic Rings 0
Heavy Atoms 40
NP-Likeness 1.20

Activity Summary

IC50 2 meas. best 8.78

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucocorticoid receptor
CHEMBL2034
IC50 8.78 8.78 1.7 1
Unchecked
CHEMBL612545
IC50 8.78 8.78 1.7 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine