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Compound Detail

CHEMBL552854

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COc1ccc2[nH]c(=O)n(C(=O)OC3CC4CCC(C3)N4C)c2c1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL552854
Phase Preclinical
Structure Type MOL
InChI Key MXZAMPPIKDHMOJ-UHFFFAOYSA-N
Parent Compound CHEMBL1194556
Active Moiety CHEMBL1194556
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
1.95
ALogP
6
HBA
1
HBD
76.6
PSA (Ų)
0.91
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 C17H22ClN3O4
MW 367.83
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.11

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