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Compound Detail

CHEMBL299766

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C=C1[C@H](O)CCC(C)(C)[C@@H]1Cc1cc(OC)c(Br)cc1O

Basic Information

ChEMBL ID CHEMBL299766
Phase Preclinical
Structure Type MOL
InChI Key PAHRREARFWPKBS-TZMCWYRMSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

355.3
MW (Da)
4.06
ALogP
3
HBA
2
HBD
49.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H23BrO3
MW 355.27
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 2.32

Activity Summary

IC50 2 meas. best 5.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
IC50 5.77 5.62 1700.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8627601 10.1021/jm950747d Progesterone receptor 6
8627601 10.1021/jm950747d Glucocorticoid receptor 1
8627601 10.1021/jm950747d Androgen receptor 1
8627601 10.1021/jm950747d Estrogen receptor 1

Data from ChEMBL 36 via Core Engine