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Compound Detail

CHEMBL382786

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CC(C)Cc1nc2cc(O)cc(O)c2c(=O)n1-c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL382786
Phase Preclinical
Structure Type MOL
InChI Key HZRBGBZHXGDGSX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
2.70
ALogP
6
HBA
3
HBD
95.6
PSA (Ų)
0.69
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 C18H18N2O4
MW 326.35
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.21

Literature References

PubMed DOI Target Context # Activities
16610787 10.1021/jm0509389 Estrogen receptor beta 3
16610787 10.1021/jm0509389 Estrogen receptor 1

Data from ChEMBL 36 via Core Engine