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Compound Detail

CHEMBL5911531

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

Basic Information

ChEMBL ID CHEMBL5911531
Phase Preclinical
Structure Type MOL
InChI Key HZLKKHXGVUNHPW-OAEYFNCWSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

289.3
MW (Da)
0.64
ALogP
4
HBA
3
HBD
109.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H20FNO5
MW 289.30
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 1.05

Activity Summary

IC50 2 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL5137
 IC50 7.0 7.0 98.8 1
Metabotropic glutamate receptor 3
CHEMBL2888
 IC50 6.76 6.76 173.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 2 IC50 = 98.8 nM 7.0 GTPγS binding test: CHO cells stably expressing human metabotropic glutamate rec... -
Metabotropic glutamate receptor 3 IC50 = 173.0 nM 6.76 GTPγS binding test: CHO cells stably expressing human metabotropic glutamate rec... -

Data from ChEMBL 36 via Core Engine