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Compound Detail

CHEMBL219205

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COc1ccc(F)cc1C(C)(C)CC(O)(CN1CCOCC1)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL219205
Phase Preclinical
Structure Type MOL
InChI Key LMCRUPDOMZRUSW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

379.4
MW (Da)
3.13
ALogP
4
HBA
1
HBD
41.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H25F4NO3
MW 379.39
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.99

Literature References

PubMed DOI Target Context # Activities
17181172 10.1021/jm061273t Glucocorticoid receptor 1
17181172 10.1021/jm061273t Progesterone receptor 1
17181172 10.1021/jm061273t HFF 1
17181172 10.1021/jm061273t Mineralocorticoid receptor 1

Data from ChEMBL 36 via Core Engine