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Compound Detail

CHEMBL3322885

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Nc1ncc(C(=O)O)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3322885
Phase Preclinical
Structure Type MOL
InChI Key CBRLWSXYXSFYSP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

139.1
MW (Da)
-0.24
ALogP
4
HBA
2
HBD
89.1
PSA (Ų)
0.56
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 C5H5N3O2
MW 139.11
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
25038482 10.1016/j.ejmech.2014.07.039 No relevant target 2
25038482 10.1016/j.ejmech.2014.07.039 GABA-A receptor; anion channel 1
25038482 10.1016/j.ejmech.2014.07.039 GABA-A receptor; alpha-1/beta-2/gamma-2 1

Data from ChEMBL 36 via Core Engine