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Compound Detail

CHEMBL378201

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Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cncnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL378201
Phase Preclinical
Structure Type MOL
InChI Key KGAPFJAKCNSQOZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

403.4
MW (Da)
2.09
ALogP
10
HBA
0
HBD
108.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14FN9O
MW 403.38
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -1.70

Literature References

PubMed DOI Target Context # Activities
16621541 10.1016/j.bmcl.2006.03.081 GABA-A receptor; alpha-3/beta-3/gamma-2 1

Data from ChEMBL 36 via Core Engine