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Compound Detail

CHEMBL313394

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N[C@@]1(C(=O)O)CCC2C[C@H](C(=O)O)C21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL313394
Phase Preclinical
Structure Type MOL
InChI Key DGIPVQKXSOJANP-GRVJPOFSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

199.2
MW (Da)
-0.10
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H13NO4
MW 199.21
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 1.60

Literature References

PubMed DOI Target Context # Activities
10893301 10.1021/jm000007r Metabotropic glutamate receptor 1 1
10893301 10.1021/jm000007r Metabotropic glutamate receptor 2 1
10893301 10.1021/jm000007r Metabotropic glutamate receptor 4 1
10893301 10.1021/jm000007r Metabotropic glutamate receptor 5 1
10893301 10.1021/jm000007r Metabotropic glutamate receptor 6 1
9871513 10.1016/s0960-894x(98)00146-2 Metabotropic glutamate receptor 1 1
9871513 10.1016/s0960-894x(98)00146-2 Metabotropic glutamate receptor 5 1
9871513 10.1016/s0960-894x(98)00146-2 Metabotropic glutamate receptor 2 1
9871513 10.1016/s0960-894x(98)00146-2 Metabotropic glutamate receptor 4 1
9871513 10.1016/s0960-894x(98)00146-2 Metabotropic glutamate receptor 6 1

Data from ChEMBL 36 via Core Engine