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Compound Detail

CHEMBL230594

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COC(=O)c1c(C#N)ccc(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL230594
Phase Preclinical
Structure Type MOL
InChI Key ZDPARJPWYZMWLR-YPMHNXCESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

329.3
MW (Da)
0.56
ALogP
6
HBA
1
HBD
110.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15N3O5
MW 329.31
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.44

Literature References

PubMed DOI Target Context # Activities
17292608 10.1016/j.bmcl.2007.01.076 Androgen receptor 2

Data from ChEMBL 36 via Core Engine