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Compound Detail

CHEMBL3392287

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CSC1=NC(c2ccccc2C(F)(F)F)C(C(=O)OCCN(C)Cc2ccccc2)=C(C)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3392287
Phase Preclinical
Structure Type MOL
InChI Key UERSSVGUWDPKRU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

477.6
MW (Da)
5.02
ALogP
6
HBA
1
HBD
53.9
PSA (Ų)
0.57
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26F3N3O2S
MW 477.55
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.13

Literature References

PubMed DOI Target Context # Activities
2329573 10.1021/jm00167a035 Oryctolagus cuniculus 1

Data from ChEMBL 36 via Core Engine