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Compound Detail

CHEMBL4513407

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CC(O)(CS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4513407
Phase Preclinical
Structure Type MOL
InChI Key BCTVGFSSPOQYIC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

516.4
MW (Da)
3.68
ALogP
7
HBA
2
HBD
135.8
PSA (Ų)
0.33
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 C18H14F6N2O7S
MW 516.37
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -1.43

Literature References

PubMed DOI Target Context # Activities
27131065 10.1016/j.ejmech.2016.04.052 CWR22R 4
27131065 10.1016/j.ejmech.2016.04.052 DU-145 4
27131065 10.1016/j.ejmech.2016.04.052 LNCaP 4
27131065 10.1016/j.ejmech.2016.04.052 VCaP 4
27131065 10.1016/j.ejmech.2016.04.052 No relevant target 2

Data from ChEMBL 36 via Core Engine