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Compound Detail

CHEMBL338104

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O=C(c1cc2ccc(O)cc2[nH]1)N1CCC(c2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL338104
Phase Preclinical
Structure Type MOL
InChI Key XLJLDVFESVWDSF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

320.4
MW (Da)
3.89
ALogP
2
HBA
2
HBD
56.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N2O2
MW 320.39
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.66

Literature References

PubMed DOI Target Context # Activities
17290978 10.1021/jm060420k Glutamate receptor ionotropic, NMDA 2B 2
14552795 10.1016/s0960-894x(03)00708-x Glutamate [NMDA] receptor 1
14552795 10.1016/s0960-894x(03)00708-x Glutamate NMDA receptor; GRIN1/GRIN2B 1

Data from ChEMBL 36 via Core Engine