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Compound Detail

CHEMBL188681

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CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)N21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL188681
Phase Preclinical
Structure Type MOL
InChI Key DIZZCQNEYVDBTK-YUELXQCFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

436.4
MW (Da)
3.11
ALogP
5
HBA
0
HBD
94.0
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 C20H19F3N4O4
MW 436.39
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness -1.29

Literature References

PubMed DOI Target Context # Activities
15546739 10.1016/j.bmcl.2004.09.049 Androgen receptor 3

Data from ChEMBL 36 via Core Engine