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Compound Detail

CHEMBL5562573

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C=CC(=O)Nc1ccc(-c2c(-c3ccc(C4(NC5CCCCC5)COC4)c(F)c3)c3c(N)ncnc3n2C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5562573
Phase Preclinical
Structure Type MOL
InChI Key SGXCEIYVRMNQQP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

540.6
MW (Da)
5.30
ALogP
7
HBA
3
HBD
107.1
PSA (Ų)
0.27
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H33FN6O2
MW 540.64
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -0.56

Literature References

PubMed DOI Target Context # Activities
38718625 10.1016/j.ejmech.2024.116473 BaF3 3

Data from ChEMBL 36 via Core Engine