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Compound Detail

CHEMBL157797

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CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL157797
Phase Preclinical
Structure Type MOL
InChI Key OIYNYPJATHVIMQ-YLJYHZDGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

406.5
MW (Da)
3.58
ALogP
4
HBA
2
HBD
86.7
PSA (Ų)
0.28
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 C22H31FN2O4
MW 406.50
Aromatic Rings 1
Heavy Atoms 29

Activity Summary

IC50 1 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peptide deformylase
CHEMBL1795101
 IC50 8.52 8.52 3.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Peptide deformylase IC50 = 3.0 nM 8.52 Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel co... 14684298

Literature References

PubMed DOI Target Context # Activities
14684298 10.1016/j.bmcl.2003.10.013 Peptide deformylase 1
14684298 10.1016/j.bmcl.2003.10.013 Escherichia coli 1
14684298 10.1016/j.bmcl.2003.10.013 Staphylococcus capitis 1

Data from ChEMBL 36 via Core Engine