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Compound Detail

CHEMBL360609

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CCCC[C@H](CN(O)C=O)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL360609
Phase Preclinical
Structure Type MOL
InChI Key YKSIUQZREKHXCH-AEFFLSMTSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

392.5
MW (Da)
1.89
ALogP
5
HBA
4
HBD
124.8
PSA (Ų)
0.17
QED
0
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H32N4O4
MW 392.50
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -0.16

Activity Summary

Ki 1 meas. best 7.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peptide deformylase
CHEMBL1795101
 Ki 7.64 7.64 23.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Peptide deformylase Ki = 23.0 nM 7.64 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 Stromelysin-1 2
15369398 10.1021/jm049592c Matrix metalloproteinase-9 2
15369398 10.1021/jm049592c Interstitial collagenase 2
15369398 10.1021/jm049592c 72 kDa type IV collagenase 2

Data from ChEMBL 36 via Core Engine