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Compound Detail

CHEMBL330851

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C[C@]12CC[C@@H]3c4ccc(O)cc4C=C[C@@H]3[C@@H]1CC[C@@H]2O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL330851
Phase Preclinical
Structure Type MOL
InChI Key VVLCELUSWGWMSW-FPSMNIFISA-N
0
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names

Molecular Properties

270.4
MW (Da)
3.69
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H22O2
MW 270.37
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 2.61

Activity Summary

EC50 1 meas.

Pharmacokinetic Data

Parameter Value Units Species
Ka 3090000000.0 M-1 -

Literature References

PubMed DOI Target Context # Activities
9357533 10.1021/jm9703294 Estrogen receptor 1
9357533 10.1021/jm9703294 MCF7 1

Data from ChEMBL 36 via Core Engine