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Compound Detail

CHEMBL96550

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Cn1nc(-c2ccc(Cl)cc2)n(C)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL96550
Phase Preclinical
Structure Type MOL
InChI Key LYZHFSRFSDDCNY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

223.7
MW (Da)
1.44
ALogP
4
HBA
0
HBD
39.8
PSA (Ų)
0.73
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 C10H10ClN3O
MW 223.66
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -1.58

Literature References

PubMed DOI Target Context # Activities
2170646 10.1021/jm00172a015 Mus musculus 3
2170646 10.1021/jm00172a015 GABA-A receptor; anion channel 1
2170646 10.1021/jm00172a015 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine