Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3358601

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CN(CC(=O)N(Cc1nccn1C)c1ccc(C(=O)O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3358601
Phase Preclinical
Structure Type MOL
InChI Key IFFIQHTWOMAEGW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

548.5
MW (Da)
2.37
ALogP
7
HBA
2
HBD
133.0
PSA (Ų)
0.25
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17F5N4O6S
MW 548.45
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -1.48

Literature References

PubMed DOI Target Context # Activities
25419444 10.1021/ml500165r Signal transducer and activator of transcription 5B 1

Data from ChEMBL 36 via Core Engine