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Compound Detail

CHEMBL1502551

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CCN(CC)c1ccc2cc(C(=O)NCc3ccc(F)cc3)c(=N)oc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1502551
Phase Preclinical
Structure Type MOL
InChI Key UYDLEWMYCZRFFW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

367.4
MW (Da)
3.83
ALogP
4
HBA
2
HBD
69.3
PSA (Ų)
0.70
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 C21H22FN3O2
MW 367.42
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.40

Activity Summary

IC50 1 meas. best 4.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-lactamase
CHEMBL1293260
 IC50 4.55 4.55 28143.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Beta-lactamase IC50 = 28143.0 nM 4.55 PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... -

Data from ChEMBL 36 via Core Engine