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Compound Detail

CHEMBL381072

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CN(C)C1=NC(=O)N(c2ccc(Cl)cc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL381072
Phase Preclinical
Structure Type MOL
InChI Key BCHXOQILTSNDSJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

237.7
MW (Da)
2.24
ALogP
2
HBA
0
HBD
35.9
PSA (Ų)
0.75
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 C11H12ClN3O
MW 237.69
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -1.26

Literature References

PubMed DOI Target Context # Activities
16539371 10.1021/jm0509400 GABA-A receptor; anion channel 2
16539371 10.1021/jm0509400 Mus musculus 2
16539371 10.1021/jm0509400 No relevant target 1

Data from ChEMBL 36 via Core Engine