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Compound Detail

CHEMBL322544

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O=C(O)CCC1=CCNCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL322544
Phase Preclinical
Structure Type MOL
InChI Key PABLEYQINSWACX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

155.2
MW (Da)
0.77
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H13NO2
MW 155.20
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness 0.84

Literature References

PubMed DOI Target Context # Activities
7650683 10.1021/jm00017a014 No relevant target 2
7650683 10.1021/jm00017a014 GABA-A receptor; anion channel 1
7650683 10.1021/jm00017a014 GABA B receptor 1
7650683 10.1021/jm00017a014 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine