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Compound Detail

CHEMBL72544

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O=C(O)[C@@H]1C[C@H]2C[C@@H](CNc3nn[nH]n3)CC[C@H]2CN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL72544
Phase Preclinical
Structure Type MOL
InChI Key DJZIELCWERFJOU-QEYWKRMJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

280.3
MW (Da)
0.09
ALogP
6
HBA
4
HBD
115.8
PSA (Ų)
0.62
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 C12H20N6O2
MW 280.33
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.21

Literature References

PubMed DOI Target Context # Activities
8667366 10.1021/jm950913h Glutamate NMDA receptor 2
8667366 10.1021/jm950913h Glutamate receptor ionotropic, AMPA 2
8667366 10.1021/jm950913h Glutamate receptor ionotropic, kainate 2

Data from ChEMBL 36 via Core Engine