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Compound Detail

CHEMBL79093

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COP(=O)(c1ccccc1)N1CCCC(c2ccccc2)=N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL79093
Phase Preclinical
Structure Type MOL
InChI Key BAUHPFYLTFWXOM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

314.3
MW (Da)
3.65
ALogP
3
HBA
0
HBD
41.9
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19N2O2P
MW 314.32
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.54

Literature References

PubMed DOI Target Context # Activities
10395481 10.1021/jm9805889 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine