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Compound Detail

CHEMBL24490

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CCC(C(=O)O)c1c(C(=O)O)[nH]c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL24490
Phase Preclinical
Structure Type MOL
InChI Key ZMLNABDKOZAIDQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

247.2
MW (Da)
2.44
ALogP
2
HBA
3
HBD
90.4
PSA (Ų)
0.77
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 C13H13NO4
MW 247.25
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.22

Literature References

PubMed DOI Target Context # Activities
1849994 10.1021/jm00108a007 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine