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Compound Detail

CHEMBL186145

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CCC(C)O[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 CHEMBL186145
Phase Preclinical
Structure Type MOL
InChI Key YRFCKKFOICLDQH-RSTCCVEGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

275.3
MW (Da)
0.39
ALogP
4
HBA
3
HBD
109.8
PSA (Ų)
0.67
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 C12H18FNO5
MW 275.28
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness 1.04

Activity Summary

Ki 1 meas. best 8.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL2851
 Ki 8.18 8.18 6.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 2 Ki = 6.68 nM 8.18 Binding affinity towards metabotropic glutamate receptor 2 of rat expressed in C... 15317467

Literature References

PubMed DOI Target Context # Activities
15317467 10.1021/jm0400294 Metabotropic glutamate receptor 2 1

Data from ChEMBL 36 via Core Engine