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Compound Detail

CHEMBL555088

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Cc1cc2[nH]c(=O)n(C(=O)OC3CC4CCC(C3)N4C)c2cc1C.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL555088
Phase Preclinical
Structure Type MOL
InChI Key BZLVWAHXUFNLGG-UHFFFAOYSA-N
Parent Compound CHEMBL1195651
Active Moiety CHEMBL1195651
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
2.56
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 C18H24ClN3O3
MW 365.86
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.03

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