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Compound Detail

CHEMBL164331

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COC(=O)N1c2ccc(-c3csc(C#N)c3)cc2C(C)(C)OC1C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL164331
Phase Preclinical
Structure Type MOL
InChI Key XBKAZNZQGBKVLS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

396.4
MW (Da)
5.01
ALogP
5
HBA
0
HBD
62.6
PSA (Ų)
0.68
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15F3N2O3S
MW 396.39
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.29

Literature References

PubMed DOI Target Context # Activities
11859003 10.1016/s0960-894x(02)00025-2 Progesterone receptor 2

Data from ChEMBL 36 via Core Engine