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Compound Detail

CHEMBL542634

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CN1CC2CCC1CC2OC(=O)n1c(=O)[nH]c2ccccc21.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL542634
Phase Preclinical
Structure Type MOL
InChI Key DLJXUYWPSXOFHH-UHFFFAOYSA-N
Parent Compound CHEMBL1183356
Active Moiety CHEMBL1183356
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

301.4
MW (Da)
1.80
ALogP
5
HBA
1
HBD
67.3
PSA (Ų)
0.87
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 C16H20ClN3O3
MW 337.81
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.16

Literature References

PubMed DOI Target Context # Activities
1695682 10.1021/jm00170a009 Serotonin 3 (5-HT3) receptor 1
1695682 10.1021/jm00170a009 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine