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Compound Detail

CHEMBL290259

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O=C(Nc1ccccc1F)C1=C(O)CCn2c1nc1ccc3ccccc3c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL290259
Phase Preclinical
Structure Type MOL
InChI Key AGTDVRVTXKLPPH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

373.4
MW (Da)
4.64
ALogP
4
HBA
2
HBD
67.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H16FN3O2
MW 373.39
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.82

Literature References

PubMed DOI Target Context # Activities
10386933 10.1016/s0960-894x(99)00240-1 Mus musculus 2
10386933 10.1016/s0960-894x(99)00240-1 Rattus norvegicus 2
10386933 10.1016/s0960-894x(99)00240-1 GABA-A receptor; anion channel 1
10386933 10.1016/s0960-894x(99)00240-1 Gamma-aminobutyric acid receptor subunit gamma-1 1

Data from ChEMBL 36 via Core Engine