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Compound Detail

CHEMBL1202198

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CCOC(=O)CCC[n+]1nc(-c2ccccc2)cc(C)c1N.[Br-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1202198
Phase Preclinical
Structure Type MOL
InChI Key LTNAVTSYBCNYOY-UHFFFAOYSA-N
Parent Compound CHEMBL81691
Active Moiety CHEMBL81691
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

300.4
MW (Da)
2.27
ALogP
4
HBA
1
HBD
69.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22BrN3O2
MW 380.29
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.40

Literature References

PubMed DOI Target Context # Activities
3027337 10.1021/jm00385a003 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine