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Compound Detail

CHEMBL3273978

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C[C@]1(c2ccccc2)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3273978
Phase Preclinical
Structure Type MOL
InChI Key HCKFPALGXKOOBK-VARPQBCJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

496.6
MW (Da)
3.56
ALogP
6
HBA
2
HBD
93.1
PSA (Ų)
0.66
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 C29H33FO6
MW 496.58
Aromatic Rings 1
Heavy Atoms 36
NP-Likeness 1.83

Literature References

PubMed DOI Target Context # Activities
926113 10.1021/jm00219a005 Glucocorticoid receptor 1

Data from ChEMBL 36 via Core Engine