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Compound Detail

CHEMBL362392

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C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2C(O)Cc1ccccc1

Basic Information

ChEMBL ID CHEMBL362392
Phase Preclinical
Structure Type MOL
InChI Key SRRJVOMFCQWCTJ-XWYQMZBESA-N
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

402.5
MW (Da)
5.36
ALogP
3
HBA
1
HBD
38.0
PSA (Ų)
0.64
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27FN2O
MW 402.51
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.04

Activity Summary

EC50 3 meas. best 8.05
IC50 1 meas. best 8.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucocorticoid receptor
CHEMBL3368
IC50 8.26 8.26 5.5 1
Glucocorticoid receptor
CHEMBL3368
EC50 8.05 7.9267 9.0 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15380227 10.1016/j.bmcl.2004.07.052 Glucocorticoid receptor 8

Data from ChEMBL 36 via Core Engine