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Compound Detail

CHEMBL325283

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COc1ccc(Cl)cc1N1CCN(C2CC3CCCC(C2)N3C)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL325283
Phase Preclinical
Structure Type MOL
InChI Key ORXGEDDDAKFJGM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

363.9
MW (Da)
3.61
ALogP
3
HBA
0
HBD
36.0
PSA (Ų)
0.82
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 C19H26ClN3O2
MW 363.89
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.70

Literature References

PubMed DOI Target Context # Activities
9341912 10.1021/jm970060o Serotonin 3 (5-HT3) receptor 3

Data from ChEMBL 36 via Core Engine