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Compound Detail

CHEMBL287785

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O=C(O)C(NCc1ccccc1)c1cc(O)no1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL287785
Phase Preclinical
Structure Type MOL
InChI Key XIBLDTHMLXQDKN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

248.2
MW (Da)
1.30
ALogP
5
HBA
3
HBD
95.6
PSA (Ų)
0.74
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 C12H12N2O4
MW 248.24
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.85

Literature References

PubMed DOI Target Context # Activities
9873391 10.1016/s0960-894x(98)00264-9 Metabotropic glutamate receptor 1 1
9873391 10.1016/s0960-894x(98)00264-9 Metabotropic glutamate receptor 2 1
9873391 10.1016/s0960-894x(98)00264-9 Metabotropic glutamate receptor 4 1
9873391 10.1016/s0960-894x(98)00264-9 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine