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Compound Detail

CHEMBL98445

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O=C(O)C1CN(Cc2cccc(CP(=O)(O)O)c2)CCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL98445
Phase Preclinical
Structure Type MOL
InChI Key QUUIEJSJXLOELW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

314.3
MW (Da)
0.22
ALogP
4
HBA
4
HBD
110.1
PSA (Ų)
0.58
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 C13H19N2O5P
MW 314.28
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.45

Literature References

PubMed DOI Target Context # Activities
2145436 10.1021/jm00172a037 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine