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Compound Detail

CHEMBL5523531

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N#Cc1ncc(Nc2ncc3c(ccc(=O)n3CC(F)F)n2)cc1OC[C@H]1CCCNC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5523531
Phase Preclinical
Structure Type MOL
InChI Key YUOYLOZPPIECSA-ZDUSSCGKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

441.4
MW (Da)
2.45
ALogP
9
HBA
2
HBD
117.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21F2N7O2
MW 441.44
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.60

Literature References

PubMed DOI Target Context # Activities
38547734 10.1016/j.ejmech.2024.116351 MV4-11 1
38547734 10.1016/j.ejmech.2024.116351 Serine/threonine-protein kinase Chk1 1

Data from ChEMBL 36 via Core Engine