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Compound Detail

CHEMBL144655

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COC(=O)Nc1ncn2c1CN(C)C(=O)c1ccccc1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL144655
Phase Preclinical
Structure Type MOL
InChI Key JPMOALFZJLKEKW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

286.3
MW (Da)
1.64
ALogP
5
HBA
1
HBD
76.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14N4O3
MW 286.29
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.45

Literature References

PubMed DOI Target Context # Activities
8386247 10.1021/jm00056a008 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine