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Compound Detail

CHEMBL42416

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O=C(OC[C@@H]1c2ccc(Cl)cc2N[C@H]1C(=O)O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL42416
Phase Preclinical
Structure Type MOL
InChI Key NRSDKJSXWCVMIC-UKRRQHHQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

331.8
MW (Da)
3.16
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14ClNO4
MW 331.75
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.11

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80444-8 Glutamate receptor ionotropic, NMDA 1 1

Data from ChEMBL 36 via Core Engine