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Compound Detail

CHEMBL423084

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

Basic Information

ChEMBL ID CHEMBL423084
Phase Preclinical
Structure Type MOL
InChI Key IHLKDAPZJFSCEI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

380.4
MW (Da)
4.79
ALogP
4
HBA
0
HBD
53.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15F3N2O2S
MW 380.39
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.28

Activity Summary

IC50 1 meas. best 5.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
 IC50 5.68 5.68 2087.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Progesterone receptor IC50 = 2087.0 nM 5.68 Binding affinity against progesterone receptor using human T47D breast carcinoma... 11859003

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