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Compound Detail

CHEMBL201126

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C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)CN1C(=O)Nc1ccc[n+]([O-])c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL201126
Phase Preclinical
Structure Type MOL
InChI Key UBOJDBFULGSGFH-UONOGXRCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

419.4
MW (Da)
3.34
ALogP
4
HBA
1
HBD
86.3
PSA (Ų)
0.60
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 C20H20F3N5O2
MW 419.41
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.58

Literature References

PubMed DOI Target Context # Activities
16420057 10.1021/jm050293c Androgen receptor 1
16420057 10.1021/jm050293c Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine