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

CHEMBL3260856

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(C)[C@H](CP(=O)(O)[C@@H](C)N)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3260856
Phase Preclinical
Structure Type MOL
InChI Key FNXVPMLEABPOHS-BQBZGAKWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

223.2
MW (Da)
0.92
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H18NO4P
MW 223.21
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 0.74

Activity Summary

Ki 1 meas. best 5.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D-alanyl-D-alanine dipeptidase
CHEMBL1681622
 Ki 5.21 5.21 6100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
D-alanyl-D-alanine dipeptidase Ki = 6100.0 nM 5.21 Inhibition of Enterococcus faecium VanX expressed in Escherichia coli BL21 (DE3)... 24751446

Literature References

PubMed DOI Target Context # Activities
24751446 10.1016/j.bmcl.2014.03.097 D-alanyl-D-alanine dipeptidase 1

Data from ChEMBL 36 via Core Engine