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Compound Detail

CHEMBL144747

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N[C@@]1(C(=O)O)CC(O)[C@@H]2[C@H]1[C@@]2(F)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL144747
Phase Preclinical
Structure Type MOL
InChI Key IQUCMQGRKGYOJI-QEGHEOBESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

219.2
MW (Da)
-1.43
ALogP
4
HBA
4
HBD
120.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H10FNO5
MW 219.17
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 1.22

Activity Summary

EC50 1 meas. best 7.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL2851
 EC50 7.68 7.68 21.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 2 EC50 = 21.0 nM 7.68 Agonist activity against Metabotropic glutamate receptor 2 expressed in CHO cell... 11123999

Literature References

PubMed DOI Target Context # Activities
11123999 10.1021/jm000346k Metabotropic glutamate receptor 2 2
11123999 10.1021/jm000346k Metabotropic glutamate receptor 3 2

Data from ChEMBL 36 via Core Engine