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Compound Detail

CHEMBL3358602

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CN(CC(=O)N(CC1CC1)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 CHEMBL3358602
Phase Preclinical
Structure Type MOL
InChI Key BLWLUZMWKOTHIP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

508.4
MW (Da)
2.85
ALogP
5
HBA
2
HBD
115.2
PSA (Ų)
0.32
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 C20H17F5N2O6S
MW 508.42
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -1.10

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