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Compound Detail

CHEMBL342190

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CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1cc(F)cc(F)c1)Oc1ccccc1-3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL342190
Phase Preclinical
Structure Type MOL
InChI Key PRIMITDDFBVXLX-FMCGGJTJSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

401.5
MW (Da)
7.13
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.47
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H21F2NO
MW 401.46
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.13

Activity Summary

EC50 1 meas. best 7.32
Ki 1 meas. best 7.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
 Ki 7.9 7.9 12.6 1
Progesterone receptor
CHEMBL208
 EC50 7.32 7.32 47.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Progesterone receptor Ki = 12.6 nM 7.9 Binding affinity against human progesterone receptor 9784110
Progesterone receptor EC50 = 47.7 nM 7.32 Effective concentration (EC50) against human progesterone receptor expressed in ... 9784110

Literature References

PubMed DOI Target Context # Activities
9784110 10.1021/jm980366a Progesterone receptor 4
9784110 10.1021/jm980366a CV-1 1

Data from ChEMBL 36 via Core Engine