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Compound Detail

CHEMBL100816

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CN(C)C(=O)Cn1c(-c2ccc(Cl)cc2)nc2cnccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL100816
Phase Preclinical
Structure Type MOL
InChI Key CZYVZDAQWUZBES-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

314.8
MW (Da)
2.84
ALogP
4
HBA
0
HBD
51.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15ClN4O
MW 314.78
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.95

Literature References

PubMed DOI Target Context # Activities
1681105 10.1021/jm00114a007 GABA-A receptor; anion channel 1
1681105 10.1021/jm00114a007 Mus musculus 1

Data from ChEMBL 36 via Core Engine