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Compound Detail

CHEMBL1681896

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FC(F)(F)c1ccccc1COc1c2cnc3c(c2nn1-c1ccc(Cl)cc1)CCCC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1681896
Phase Preclinical
Structure Type MOL
InChI Key ZTZRTWZVMCXZQV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

457.9
MW (Da)
6.55
ALogP
4
HBA
0
HBD
39.9
PSA (Ų)
0.35
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H19ClF3N3O
MW 457.88
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.34

Literature References

PubMed DOI Target Context # Activities
21277199 10.1016/j.bmcl.2010.12.107 Gamma-aminobutyric acid receptor subunit alpha-1 2
21277199 10.1016/j.bmcl.2010.12.107 Gamma-aminobutyric acid receptor subunit alpha-2 2

Data from ChEMBL 36 via Core Engine