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Compound Detail

CHEMBL2386400

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CC(C)(C)c1ccc(-c2cc(=O)c3c(O)cccc3o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2386400
Phase Preclinical
Structure Type MOL
InChI Key VQLPXGFWMLPZMV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
4.46
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.72
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 C19H18O3
MW 294.35
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness 0.45

Literature References

PubMed DOI Target Context # Activities
23611768 10.1016/j.bmc.2013.03.060 Androgen receptor 1

Data from ChEMBL 36 via Core Engine