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Compound Detail

CHEMBL79616

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N=C(N)N(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL79616
Phase Preclinical
Structure Type MOL
InChI Key MFHNAXHSHOCFEC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

211.3
MW (Da)
2.72
ALogP
1
HBA
2
HBD
53.1
PSA (Ų)
0.59
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 C13H13N3
MW 211.27
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.47

Literature References

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

Data from ChEMBL 36 via Core Engine