Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL461534

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCCCF)cc3)c(F)c2)C(=O)O1

Basic Information

ChEMBL ID CHEMBL461534
Phase Preclinical
Structure Type MOL
InChI Key IBXDWOGXZNFARB-IBGZPJMESA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

417.5
MW (Da)
3.40
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25F2N3O3
MW 417.46
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.17

Activity Summary

IC50 2 meas. best 7.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 7.22 7.22 60.0 1
Bacterial 70S ribosome
CHEMBL2363135
IC50 4.35 4.35 45000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18316525 10.1128/aac.01383-07 Streptococcus pneumoniae 22
18316525 10.1128/aac.01383-07 Staphylococcus aureus 19
18316525 10.1128/aac.01383-07 Enterococcus faecium 17
18316525 10.1128/aac.01383-07 Enterococcus faecalis 13
18316525 10.1128/aac.01383-07 Haemophilus influenzae 9
18316525 10.1128/aac.01383-07 Streptococcus pyogenes 6
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
18316525 10.1128/aac.01383-07 Staphylococcus 3
18316525 10.1128/aac.01383-07 Moraxella catarrhalis 3
18663023 10.1128/aac.01193-07 Unchecked 3
18663023 10.1128/aac.01193-07 Enterococcus faecalis 2
18663023 10.1128/aac.01193-07 Staphylococcus aureus 2
18663023 10.1128/aac.01193-07 Bacterial 70S ribosome 1
18663023 10.1128/aac.01193-07 Enterococcus faecium 1
18316525 10.1128/aac.01383-07 Staphylococcus capitis 1
18316525 10.1128/aac.01383-07 Staphylococcus epidermidis 1
18316525 10.1128/aac.01383-07 Staphylococcus hominis 1
18947996 10.1016/j.bmcl.2008.10.011 Streptococcus pyogenes 1

Data from ChEMBL 36 via Core Engine