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Compound Detail

CHEMBL7970

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Oc1ccc2ccc3c4ccccc4ccc3c2c1

Basic Information

ChEMBL ID CHEMBL7970
Phase Preclinical
Structure Type MOL
InChI Key PULKTNQKGZNFNB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

244.3
MW (Da)
4.85
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H12O
MW 244.29
Aromatic Rings 4
Heavy Atoms 19
NP-Likeness 0.28

Activity Summary

Kd 1 meas. best 5.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Estrogen receptor
CHEMBL2304421
Kd 5.4 5.4 4000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Estrogen receptor Kd = 4000.0 nM 5.4 Displacement of [3H]-estradiol (E2) from sheep uterine estrogen receptor 14761204

Literature References

PubMed DOI Target Context # Activities
14761204 10.1021/jm0309607 Estrogen receptor 1

Data from ChEMBL 36 via Core Engine