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Compound Detail

CHEMBL592868

ESTROGEN
🧪 Phase III
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🧪 Phase III
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C

Basic Information

ChEMBL ID CHEMBL592868
Name ESTROGEN
Phase Phase III
Structure Type MOL
InChI Key GJUHUIXJLZINMA-MJCUULBUSA-N

Known Names

Estrogen
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
1
Known Names
5
Indications

Molecular Properties

310.4
MW (Da)
4.00
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Unknown
USAN Stem estr-

Extended Properties

Molecular Formula C21H26O2
MW 310.44
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 1.83

Indications

Alzheimer Disease Breast Neoplasms Heart Diseases Memory Disorders Arthralgia

Activity Summary

EC50 1 meas. best 10.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Estrogen receptor
CHEMBL206
EC50 10.55 10.55 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Estrogen receptor EC50 = 0.028 nM 10.55 Estrogenic activity at ERalpha in human Ishikawa cells assessed as stimulation o... 20031420

Literature References

PubMed DOI Target Context # Activities
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 14
1249807 10.1021/jm00224a014 Rattus norvegicus 3
7853335 10.1021/jm00003a005 Estrogen receptor 2
20031420 10.1016/j.bmc.2009.11.046 Estrogen receptor 1
24900787 10.1021/ml400397k Unchecked 1

Data from ChEMBL 36 via Core Engine