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Compound Detail

CHEMBL567237

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CC(C)C[C@@](C)(O)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C

Basic Information

ChEMBL ID CHEMBL567237
Phase Preclinical
Structure Type MOL
InChI Key FVNUALGZXXEUEP-OEMFJLHTSA-N
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

382.5
MW (Da)
5.69
ALogP
3
HBA
1
HBD
38.0
PSA (Ų)
0.74
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 C24H31FN2O
MW 382.52
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.56

Activity Summary

EC50 3 meas. best 6.88
Ki 1 meas. best 8.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucocorticoid receptor
CHEMBL2034
Ki 8.05 8.05 9.0 1
Glucocorticoid receptor
CHEMBL2034
EC50 6.88 6.6067 132.0 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
20047280 10.1021/jm901551w Glucocorticoid receptor 7
20047280 10.1021/jm901551w Mineralocorticoid receptor 2
20047280 10.1021/jm901551w Androgen receptor 1

Data from ChEMBL 36 via Core Engine