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Compound Detail

CHEMBL5202700

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O=C(c1ccc(-c2nc(-c3cccs3)no2)nc1)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5202700
Phase Preclinical
Structure Type MOL
InChI Key PUWGKJCGUBIPNY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

529.5
MW (Da)
4.76
ALogP
8
HBA
0
HBD
84.6
PSA (Ų)
0.34
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22F3N5O3S
MW 529.54
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -2.30

Literature References

PubMed DOI Target Context # Activities
36103247 10.1021/acs.jmedchem.2c00413 Signal transducer and activator of transcription 3 1

Data from ChEMBL 36 via Core Engine