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Compound Detail

CHEMBL1089811

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COc1ccc2c(c1)-c1ccc3c(c1[C@H](c1ccccc1)O2)C(C)=CC(C)(C)N3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1089811
Phase Preclinical
Structure Type MOL
InChI Key QYGXPNCCWFGVRU-VWLOTQADSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
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 0.45

Activity Summary

Ki 1 meas. best 7.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucocorticoid receptor
CHEMBL2034
 Ki 7.75 7.75 18.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glucocorticoid receptor Ki = 18.0 nM 7.75 Displacement of [3H]DEX from human glucocorticoid receptor 20334371

Literature References

PubMed DOI Target Context # Activities
20334371 10.1021/jm901452y Glucocorticoid receptor 2

Data from ChEMBL 36 via Core Engine