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Compound Detail

CHEMBL507605

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CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(Cn4ccnn4)cc3)c(F)c2)C(=O)O1

Basic Information

ChEMBL ID CHEMBL507605
Phase Preclinical
Structure Type MOL
InChI Key YYIPDVZMBORVLM-SFHVURJKSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

409.4
MW (Da)
2.59
ALogP
6
HBA
1
HBD
89.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20FN5O3
MW 409.42
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.62

Activity Summary

IC50 2 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.89 6.785 130.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18947996 10.1016/j.bmcl.2008.10.011 Haemophilus influenzae 4
18947996 10.1016/j.bmcl.2008.10.011 Enterococcus faecalis 3
18947996 10.1016/j.bmcl.2008.10.011 Streptococcus pneumoniae 3
18663023 10.1128/aac.01193-07 Unchecked 3
18663023 10.1128/aac.01193-07 Staphylococcus aureus 2
18663023 10.1128/aac.01193-07 Enterococcus faecalis 2
18947996 10.1016/j.bmcl.2008.10.011 Staphylococcus aureus 1
18947996 10.1016/j.bmcl.2008.10.011 Streptococcus pyogenes 1
18663023 10.1128/aac.01193-07 Enterococcus faecium 1

Data from ChEMBL 36 via Core Engine