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Compound Detail

CHEMBL239906

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

Basic Information

ChEMBL ID CHEMBL239906
Phase Preclinical
Structure Type MOL
InChI Key BZWRAUSIWBIKJG-ZYYOCXGQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

217.2
MW (Da)
-1.04
ALogP
4
HBA
4
HBD
137.9
PSA (Ų)
0.47
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 C8H11NO6
MW 217.18
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 1.00

Literature References

PubMed DOI Target Context # Activities
17900912 10.1016/j.bmc.2007.09.004 Metabotropic glutamate receptor 1 2
17900912 10.1016/j.bmc.2007.09.004 Metabotropic glutamate receptor 2 2
17900912 10.1016/j.bmc.2007.09.004 Metabotropic glutamate receptor 6 2
17900912 10.1016/j.bmc.2007.09.004 5-hydroxytryptamine receptor 1A 1
17900912 10.1016/j.bmc.2007.09.004 5-hydroxytryptamine receptor 2A 1
17900912 10.1016/j.bmc.2007.09.004 Sodium-dependent serotonin transporter 1

Data from ChEMBL 36 via Core Engine