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Compound Detail

CHEMBL1276662

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

Basic Information

ChEMBL ID CHEMBL1276662
Phase Preclinical
Structure Type MOL
InChI Key PZRNNZUOTNIHDY-INIZCTEOSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

399.4
MW (Da)
1.94
ALogP
4
HBA
4
HBD
120.5
PSA (Ų)
0.44
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 C20H22FN5O3
MW 399.43
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.00

Activity Summary

IC50 3 meas. best 7.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 7.1 7.1 80.0 1
Bacterial 70S ribosome
CHEMBL2363135
IC50 5.06 4.68 8700.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
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
18663023 10.1128/aac.01193-07 Bacterial 70S ribosome 2
18663023 10.1128/aac.01193-07 Enterococcus faecium 1

Data from ChEMBL 36 via Core Engine