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Compound Detail

CHEMBL314477

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Fc1ccc(-n2nc(C3OCCO3)c3c2C(Cc2cccc4ccccc24)CCC3)cc1

Basic Information

ChEMBL ID CHEMBL314477
Phase Preclinical
Structure Type MOL
InChI Key PYOSGOFNTIDPGD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

428.5
MW (Da)
5.87
ALogP
4
HBA
0
HBD
36.3
PSA (Ų)
0.41
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H25FN2O2
MW 428.51
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.66

Activity Summary

IC50 1 meas. best 7.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL3456
IC50 7.01 7.01 97.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Progesterone receptor IC50 = 97.0 nM 7.01 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

Data from ChEMBL 36 via Core Engine