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Compound Detail

CHEMBL4796860

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c1nc(NCC2CC2)cc2c1ncn2CC1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4796860
Phase Preclinical
Structure Type MOL
InChI Key GFWITVCRRGEWNL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

242.3
MW (Da)
2.66
ALogP
4
HBA
1
HBD
42.7
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H18N4
MW 242.33
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.12

Literature References

PubMed DOI Target Context # Activities
32898695 10.1016/j.bmcl.2020.127536 GABA-A receptor; alpha-5/beta-3/gamma-2 1

Data from ChEMBL 36 via Core Engine