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Compound Detail

CHEMBL341888

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

Basic Information

ChEMBL ID CHEMBL341888
Phase Preclinical
Structure Type MOL
InChI Key DIWVNJFXRKZAGI-AZDHXYLBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

203.2
MW (Da)
-0.54
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.56
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 C8H10FNO4
MW 203.17
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 0.94

Activity Summary

EC50 1 meas. best 4.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL2851
 EC50 4.77 4.77 17100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 2 EC50 = 17100.0 nM 4.77 Antagonist activity against Metabotropic glutamate receptor 2 expressed in CHO c... 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