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Compound Detail

CHEMBL327918

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CC1=CC(C)(C)Nc2cc3c(cc21)-c1ccc(Br)cc1C3C

Basic Information

ChEMBL ID CHEMBL327918
Phase Preclinical
Structure Type MOL
InChI Key IBWSBFRDGVOTMF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

354.3
MW (Da)
6.19
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.59
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 C20H20BrN
MW 354.29
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.20

Activity Summary

IC50 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
IC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Progesterone receptor IC50 = 10000.0 nM 5.0 Antagonist activity against human progesterone receptor B (hPR-B) in co-transfec... 9873612

Literature References

PubMed DOI Target Context # Activities
9873612 10.1016/s0960-894x(98)00482-x Progesterone receptor 3

Data from ChEMBL 36 via Core Engine