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Compound Detail

CHEMBL99333

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O=C(O)C1CN(CCCP(=O)(O)O)CCN1CCC=C(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL99333
Phase Preclinical
Structure Type MOL
InChI Key XYSDPRGSQBVBTL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

458.5
MW (Da)
3.15
ALogP
4
HBA
3
HBD
101.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H31N2O5P
MW 458.50
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.13

Literature References

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

Data from ChEMBL 36 via Core Engine