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Compound Detail

CHEMBL273141

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Cc1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL273141
Phase Preclinical
Structure Type MOL
InChI Key DVDKEBCTGVWNBS-XMMPIXPASA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

437.5
MW (Da)
4.36
ALogP
4
HBA
0
HBD
55.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24FN3O2S
MW 437.54
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.14

Activity Summary

Ki 2 meas. best 8.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucocorticoid receptor
CHEMBL2034
 Ki 8.64 7.83 2.3 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glucocorticoid receptor Ki = 2.3 nM 8.64 Displacement of [3H]dexamethasone from human recombinant GR 18226897
Glucocorticoid receptor Ki = 96.0 nM 7.02 Antagonist activity at GR in SW1353/MMTV5 cells assessed as inhibition of dexame... 18226897

Literature References

PubMed DOI Target Context # Activities
18226897 10.1016/j.bmcl.2008.01.027 Glucocorticoid receptor 2

Data from ChEMBL 36 via Core Engine