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Compound Detail

CHEMBL5557838

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N#Cc1ncc(Nc2ncc3c(ccc(=O)n3CC(F)F)n2)cc1OCCCN
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5557838
Phase Preclinical
Structure Type MOL
InChI Key OMPXZKIXTLHOHS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

401.4
MW (Da)
1.79
ALogP
9
HBA
2
HBD
131.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17F2N7O2
MW 401.38
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.62

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