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Compound Detail

CHEMBL284949

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Cc1cc(-c2cc3c(O)cc(O)cc3s2)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL284949
Phase Preclinical
Structure Type MOL
InChI Key JBURDFWPYJNVPN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

272.3
MW (Da)
3.99
ALogP
4
HBA
3
HBD
60.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12O3S
MW 272.32
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.07

Literature References

PubMed DOI Target Context # Activities
11906280 10.1021/jm015577l Estrogen receptor beta 2
11906280 10.1021/jm015577l Estrogen receptor 2

Data from ChEMBL 36 via Core Engine