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Compound Detail

CHEMBL195328

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Basic Information

ChEMBL ID CHEMBL195328
Phase Preclinical
Structure Type MOL
InChI Key FTZQXOJYPFINKJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

111.1
MW (Da)
1.41
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H6FN
MW 111.12
Aromatic Rings 1
Heavy Atoms 8
NP-Likeness -1.16

Activity Summary

Kd 1 meas. best 4.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Endolysin
CHEMBL5206
Kd 4.0 4.0 100000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Endolysin Kd = 100000.0 nM 4.0 Dissociation constant against T4 lysozyme mutant L99A/M102Q 15916423

Literature References

PubMed DOI Target Context # Activities
15916423 10.1021/jm0491187 Endolysin 1
18570365 10.1021/jm800219f No relevant target 1

Data from ChEMBL 36 via Core Engine