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Compound Detail

CHEMBL467528

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COc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@H](C2)NCC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL467528
Phase Preclinical
Structure Type MOL
InChI Key ILNSWVUXAPSPEH-HYVNUMGLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

257.4
MW (Da)
3.04
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H23NO
MW 257.38
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 1.25

Literature References

PubMed DOI Target Context # Activities
19345586 10.1016/j.bmc.2009.03.025 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine