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Compound Detail

CHEMBL313626

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Cc1ccc(CC2CCCc3c(C=O)nn(-c4ccc(F)cc4)c32)cc1

Basic Information

ChEMBL ID CHEMBL313626
Phase Preclinical
Structure Type MOL
InChI Key CZTHCFZEUJTAMY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
4.79
ALogP
3
HBA
0
HBD
34.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21FN2O
MW 348.42
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.64

Activity Summary

IC50 1 meas. best 8.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL3456
IC50 8.11 8.11 7.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Progesterone receptor IC50 = 7.7 nM 8.11 Binding affinity determined by ability to displace [3H]R5020 radioligand using u... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)10016-6 Progesterone receptor 1
- 10.1016/S0960-894X(97)10016-6 T47D 1

Data from ChEMBL 36 via Core Engine