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Compound Detail

CHEMBL545471

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Basic Information

ChEMBL ID CHEMBL545471
Phase Preclinical
Structure Type MOL
InChI Key CVAHOSSNEIXARZ-UHFFFAOYSA-N
Parent Compound CHEMBL1193979
Active Moiety CHEMBL1193979
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

87.1
MW (Da)
-0.64
ALogP
1
HBA
3
HBD
47.9
PSA (Ų)
0.27
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C3H10BrN3
MW 168.04
Aromatic Rings 0
Heavy Atoms 6
NP-Likeness 1.01

Literature References

PubMed DOI Target Context # Activities
1975275 10.1021/jm00171a016 Sigma non-opioid intracellular receptor 1 2
1975275 10.1021/jm00171a016 Glutamate [NMDA] receptor 1

Data from ChEMBL 36 via Core Engine