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Compound Detail

CHEMBL2058380

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

Basic Information

ChEMBL ID CHEMBL2058380
Phase Preclinical
Structure Type MOL
InChI Key OBRTYIGMSOAPIQ-GEMLJDPKSA-N
Parent Compound CHEMBL2079257
Active Moiety CHEMBL2079257
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

177.1
MW (Da)
-0.64
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.53
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 C6H9ClFNO4
MW 213.59
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 0.66

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
22750138 10.1016/j.bmc.2012.06.006 Metabotropic glutamate receptor 4 1

Data from ChEMBL 36 via Core Engine