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Compound Detail

CHEMBL1744063

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

Basic Information

ChEMBL ID CHEMBL1744063
Phase Preclinical
Structure Type MOL
InChI Key QNFYWRWLVYZGOG-QGZVFWFLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

395.4
MW (Da)
3.64
ALogP
5
HBA
3
HBD
99.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16F3N3O2S
MW 395.41
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.31

Literature References

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

Data from ChEMBL 36 via Core Engine