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Compound Detail

CHEMBL66198

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CC1=CC(C)(C)Nc2ccc3c(c21)COc1c(Br)cc(Br)cc1-3

Basic Information

ChEMBL ID CHEMBL66198
Phase Preclinical
Structure Type MOL
InChI Key ZWRSZEGSVDENRS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

435.2
MW (Da)
6.38
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.52
QED
1
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17Br2NO
MW 435.16
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.55

Activity Summary

EC50 1 meas. best 5.73

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
EC50 5.73 5.73 1871.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Progesterone receptor EC50 = 1871.0 nM 5.73 Effective concentration for antagonistic activity towards human progesterone in ... 12781198

Literature References

PubMed DOI Target Context # Activities
12781198 10.1016/s0960-894x(03)00256-7 Progesterone receptor 7

Data from ChEMBL 36 via Core Engine