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Compound Detail

CHEMBL43467

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c1ccc2c(c1)CCc1c(N3CCOCC3)nc3ccccc3c1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL43467
Phase Preclinical
Structure Type MOL
InChI Key GVKYKXIVDNYOIK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
3.84
ALogP
3
HBA
0
HBD
25.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20N2O
MW 316.40
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.70

Literature References

PubMed DOI Target Context # Activities
10229626 10.1021/jm981112s Serotonin 3 (5-HT3) receptor 1

Data from ChEMBL 36 via Core Engine