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Compound Detail

CHEMBL4169303

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COc1cccc(C(=O)Nc2cccc(Oc3cccc(O)c3)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4169303
Phase Preclinical
Structure Type MOL
InChI Key IAXOLXJAWUUTPU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

335.4
MW (Da)
4.45
ALogP
4
HBA
2
HBD
67.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17NO4
MW 335.36
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.83

Literature References

PubMed DOI Target Context # Activities
30228001 10.1016/j.bmc.2018.09.008 Androgen receptor 2

Data from ChEMBL 36 via Core Engine