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

CHEMBL86508

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(N)(C(=O)O)c1ccc(P(=O)(O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL86508
Phase Preclinical
Structure Type MOL
InChI Key PAONCRJPUQXPRW-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

245.2
MW (Da)
-0.25
ALogP
3
HBA
4
HBD
120.8
PSA (Ų)
0.54
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 C9H12NO5P
MW 245.17
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.25

Activity Summary

Ki 2 meas. best 4.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL5137
 Ki 4.96 4.96 11000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 2 Ki = 11000.0 nM 4.96 Antagonist potency against cloned Metabotropic glutamate receptor 2 10893301

Literature References

PubMed DOI Target Context # Activities
11277518 10.1016/s0960-894x(01)00052-x Unchecked 3
10893301 10.1021/jm000007r Metabotropic glutamate receptor 1 1
10893301 10.1021/jm000007r Metabotropic glutamate receptor 2 1
10893301 10.1021/jm000007r Metabotropic glutamate receptor 5 1
10893301 10.1021/jm000007r Metabotropic glutamate receptor 6 1

Data from ChEMBL 36 via Core Engine