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Compound Detail

CHEMBL5203071

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O=C(c1ncccc1-c1nc(-c2ccc(C(F)(F)F)cc2)no1)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5203071
Phase Preclinical
Structure Type MOL
InChI Key LGKJEPSHPBXIFA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

591.5
MW (Da)
5.72
ALogP
7
HBA
0
HBD
84.6
PSA (Ų)
0.25
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H23F6N5O3
MW 591.51
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -1.78

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