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Compound Detail

CHEMBL4462729

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Cc1ncc(Cn2cc(COc3ccc(F)cc3)nn2)c(N)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4462729
Phase Preclinical
Structure Type MOL
InChI Key NVRLKYXEWZGWBY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

314.3
MW (Da)
1.73
ALogP
7
HBA
1
HBD
91.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15FN6O
MW 314.32
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.90

Literature References

PubMed DOI Target Context # Activities
30692021 10.1016/j.bmc.2019.01.021 Unchecked 2
30692021 10.1016/j.bmc.2019.01.021 Microcystis aeruginosa 1
30692021 10.1016/j.bmc.2019.01.021 Synechocystis sp. PCC 6803 1

Data from ChEMBL 36 via Core Engine