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Compound Detail

CHEMBL138737

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COc1cccc2c1-c1ccc3c(c1C(CC(=O)O)O2)C(C)=CC(C)(C)N3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL138737
Phase Preclinical
Structure Type MOL
InChI Key HXGINZRMCUIHOF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

365.4
MW (Da)
4.88
ALogP
4
HBA
2
HBD
67.8
PSA (Ų)
0.81
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 C22H23NO4
MW 365.43
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.67

Literature References

PubMed DOI Target Context # Activities
11728194 10.1021/jm010367u Glucocorticoid receptor 5
11728194 10.1021/jm010367u Progesterone receptor 1

Data from ChEMBL 36 via Core Engine