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Compound Detail

CHEMBL312265

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COP(=O)(c1ccccc1)N1CCCC(c2ccc(Br)cc2)=N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL312265
Phase Preclinical
Structure Type MOL
InChI Key AGSFJHZEIWPCIQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

393.2
MW (Da)
4.41
ALogP
3
HBA
0
HBD
41.9
PSA (Ų)
0.72
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 C17H18BrN2O2P
MW 393.22
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.67

Literature References

PubMed DOI Target Context # Activities
10395481 10.1021/jm9805889 GABA-A receptor; anion channel 2

Data from ChEMBL 36 via Core Engine