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Compound Detail

CHEMBL104318

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CC(CO)N1CCC(Cc2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL104318
Phase Preclinical
Structure Type MOL
InChI Key GIVOWRNJEIBODH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

233.3
MW (Da)
2.32
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.86
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 C15H23NO
MW 233.35
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.47

Literature References

PubMed DOI Target Context # Activities
1681106 10.1021/jm00114a018 Glutamate NMDA receptor 1
1681106 10.1021/jm00114a018 Adrenergic receptor alpha-1 1

Data from ChEMBL 36 via Core Engine