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Compound Detail

CHEMBL555791

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CCN1C2CCC1CC(OC(=O)n1c(=O)[nH]c3ccccc31)C2.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL555791
Phase Preclinical
Structure Type MOL
InChI Key JFCIADAQPMDPPM-UHFFFAOYSA-N
Parent Compound CHEMBL1196029
Active Moiety CHEMBL1196029
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
2.33
ALogP
5
HBA
1
HBD
67.3
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22ClN3O3
MW 351.83
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.04

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