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Compound Detail

CHEMBL1744064

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C[C@](O)(CSc1cccc(NC(=O)CCl)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1744064
Phase Preclinical
Structure Type MOL
InChI Key BAFVPFXQMSJIJR-IBGZPJMESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

471.9
MW (Da)
4.24
ALogP
5
HBA
3
HBD
102.2
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17ClF3N3O3S
MW 471.89
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.48

Literature References

PubMed DOI Target Context # Activities
10691684 10.1021/jm990027x Androgen receptor 1

Data from ChEMBL 36 via Core Engine