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Compound Detail

CHEMBL313374

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C=Cc1nn(-c2ccc(F)cc2)c2c1CCCC2Cc1cccc2ccccc12

Basic Information

ChEMBL ID CHEMBL313374
Phase Preclinical
Structure Type MOL
InChI Key MENRXMOUTZNDEC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

382.5
MW (Da)
6.47
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.40
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 C26H23FN2
MW 382.48
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.51

Activity Summary

IC50 1 meas. best 6.83

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL3456
IC50 6.83 6.83 147.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Progesterone receptor IC50 = 147.0 nM 6.83 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