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Compound Detail

CHEMBL4764521

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

Basic Information

ChEMBL ID CHEMBL4764521
Phase Preclinical
Structure Type MOL
InChI Key NEPLRFKKKVVBPT-QFIPXVFZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

505.9
MW (Da)
4.01
ALogP
6
HBA
3
HBD
120.0
PSA (Ų)
0.42
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19ClF3N5O3
MW 505.88
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.57

Literature References

PubMed DOI Target Context # Activities
33095584 10.1021/acs.jmedchem.0c00943 Androgen receptor 2

Data from ChEMBL 36 via Core Engine