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Compound Detail

CHEMBL3358609

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CN(CC(=O)N(Cc1ccc(C(C)(C)C)cc1)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 CHEMBL3358609
Phase Preclinical
Structure Type MOL
InChI Key JABKRSQEWFBIFT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

600.6
MW (Da)
4.94
ALogP
5
HBA
2
HBD
115.2
PSA (Ų)
0.22
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 C27H25F5N2O6S
MW 600.56
Aromatic Rings 3
Heavy Atoms 41
NP-Likeness -1.21

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