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Compound Detail

CHEMBL364836

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CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCNC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL364836
Phase Preclinical
Structure Type MOL
InChI Key OGUGPIPQYDYEFE-IAGOWNOFSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

383.5
MW (Da)
2.62
ALogP
4
HBA
3
HBD
98.7
PSA (Ų)
0.40
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H37N3O4
MW 383.53
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness 0.52

Activity Summary

Ki 2 meas. best 9.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peptide deformylase
CHEMBL1795101
 Ki 9.64 8.33 0.2 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Peptide deformylase Ki = 0.23 nM 9.64 Inhibitory effect against Escherichia coli peptide deformylase (PDF) by AAP assa... 15369398
Peptide deformylase Ki = 96.0 nM 7.02 Inhibitory effect against Escherichia coli peptide deformylase (PDF) by DPPI ass... 15369398

Literature References

PubMed DOI Target Context # Activities
15369398 10.1021/jm049592c Peptide deformylase 4
15369398 10.1021/jm049592c Streptococcus pneumoniae 3
15369398 10.1021/jm049592c Enterococcus faecalis 1
15369398 10.1021/jm049592c Escherichia coli 1
15369398 10.1021/jm049592c Unchecked 1
15369398 10.1021/jm049592c Haemophilus influenzae 1
15369398 10.1021/jm049592c Moraxella catarrhalis 1
15369398 10.1021/jm049592c Staphylococcus aureus 1

Data from ChEMBL 36 via Core Engine