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Compound Detail

CHEMBL167570

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CC1(C)OC(C(F)(F)F)Nc2ccc(-c3cc(F)cc(C#N)c3)cc21

Basic Information

ChEMBL ID CHEMBL167570
Phase Preclinical
Structure Type MOL
InChI Key NZOHVKQNZLFMHA-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

350.3
MW (Da)
4.93
ALogP
3
HBA
1
HBD
45.0
PSA (Ų)
0.74
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 C18H14F4N2O
MW 350.32
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.43

Activity Summary

EC50 1 meas. best 8.77
IC50 1 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
EC50 8.77 8.77 1.7 1
Progesterone receptor
CHEMBL208
IC50 8.15 8.15 7.1 1

Activity Data Samples

Top measurements by pChEMBL value

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