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Compound Detail

CHEMBL204142

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FC(F)(F)c1ccn2c(-c3cc(Cl)ccn3)cnc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL204142
Phase Preclinical
Structure Type MOL
InChI Key NPMPSLSQLVNXQT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

298.6
MW (Da)
3.46
ALogP
4
HBA
0
HBD
43.1
PSA (Ų)
0.69
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 C12H6ClF3N4
MW 298.65
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.73

Literature References

PubMed DOI Target Context # Activities
16406613 10.1016/j.bmcl.2005.11.112 GABA-A receptor; alpha-1/beta-3/gamma-2 1
16406613 10.1016/j.bmcl.2005.11.112 GABA-A receptor; alpha-3/beta-3/gamma-2 1

Data from ChEMBL 36 via Core Engine