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Compound Detail

CHEMBL100208

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

Basic Information

ChEMBL ID CHEMBL100208
Phase Preclinical
Structure Type MOL
InChI Key PXEVNXZXYGZPTF-IUBBNNOOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

187.2
MW (Da)
-0.24
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.57
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 C8H13NO4
MW 187.19
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness 0.79

Literature References

PubMed DOI Target Context # Activities
9873635 10.1016/s0960-894x(98)00510-1 Rattus norvegicus 1
9873635 10.1016/s0960-894x(98)00510-1 Metabotropic glutamate receptor 2 1
9873635 10.1016/s0960-894x(98)00510-1 Metabotropic glutamate receptor 3 1

Data from ChEMBL 36 via Core Engine