Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL361449

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC(=O)NCCCC[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCNC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL361449
Phase Preclinical
Structure Type MOL
InChI Key NKJYIBRDRYQXFN-MOPGFXCFSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

426.6
MW (Da)
1.49
ALogP
5
HBA
4
HBD
127.8
PSA (Ų)
0.20
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H38N4O5
MW 426.56
Aromatic Rings 0
Heavy Atoms 30
NP-Likeness 0.34

Activity Summary

Ki 2 meas. best 7.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peptide deformylase
CHEMBL1795101
 Ki 7.92 7.035 12.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Peptide deformylase Ki = 12.0 nM 7.92 Inhibitory effect against Escherichia coli peptide deformylase (PDF) by AAP assa... 15369398
Peptide deformylase Ki = 710.0 nM 6.15 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