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Compound Detail

CHEMBL346949

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Cc1ncc(CO)c(C2NCCc3ncn(C)c32)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL346949
Phase Preclinical
Structure Type MOL
InChI Key XDJNPPGNWKYZHF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

274.3
MW (Da)
0.56
ALogP
6
HBA
3
HBD
83.2
PSA (Ų)
0.74
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 C14H18N4O2
MW 274.32
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.20

Literature References

PubMed DOI Target Context # Activities
6325688 10.1021/jm00371a002 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine