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Compound Detail

CHEMBL99128

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COc1ccc2c(c1)OC(c1ccccc1)c1c-2ccc2c1C(C)=CC(C)(C)N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL99128
Phase Preclinical
Structure Type MOL
InChI Key DTJXOGQFYUMFJB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

383.5
MW (Da)
6.45
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.55
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25NO2
MW 383.49
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 0.54

Activity Summary

Ki 1 meas. best 5.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucocorticoid receptor
CHEMBL2034
 Ki 5.75 5.75 1800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glucocorticoid receptor Ki = 1800.0 nM 5.75 Binding affinity for glucocorticoid receptor 11520196

Literature References

PubMed DOI Target Context # Activities
11520196 10.1021/jm010228c Glucocorticoid receptor 1
11520196 10.1021/jm010228c Progesterone receptor 1

Data from ChEMBL 36 via Core Engine