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Compound Detail

CHEMBL4777172

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C[C@](O)(Cn1cc(-c2ccc(C(N)=O)cc2)cn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4777172
Phase Preclinical
Structure Type MOL
InChI Key NGDJDYAIYPAWEH-NRFANRHFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

457.4
MW (Da)
2.93
ALogP
6
HBA
3
HBD
134.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18F3N5O3
MW 457.41
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.55

Literature References

PubMed DOI Target Context # Activities
33095584 10.1021/acs.jmedchem.0c00943 Androgen receptor 1

Data from ChEMBL 36 via Core Engine