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Compound Detail

CHEMBL154703

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CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)c1ccccc1)C(C)(C)C

Basic Information

ChEMBL ID CHEMBL154703
Phase Preclinical
Structure Type MOL
InChI Key SEWKIBJOBYMVII-SJLPKXTDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

362.5
MW (Da)
3.05
ALogP
4
HBA
2
HBD
86.7
PSA (Ų)
0.29
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H30N2O4
MW 362.47
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 0.24

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

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