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Compound Detail

CHEMBL5221990

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C[n+]1ccc(-c2ccc(-c3ccc(N4C[C@H](CO)OC4=O)cc3F)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5221990
Phase Preclinical
Structure Type MOL
InChI Key GROWCWUOQVYYFY-LJQANCHMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

379.4
MW (Da)
3.30
ALogP
3
HBA
1
HBD
53.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20FN2O3+
MW 379.41
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.50

Activity Summary

IC50 1 meas. best 4.81

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Acinetobacter baumannii
CHEMBL614425
 IC50 4.81 4.81 15400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Acinetobacter baumannii IC50 = 15400.0 nM 4.81 Antibacterial activity against wild type Acinetobacter baumannii assessed as red... 38134355

Literature References

PubMed DOI Target Context # Activities
38134355 10.1021/acs.jmedchem.3c01831 Acinetobacter baumannii 1

Data from ChEMBL 36 via Core Engine