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Compound Detail

CHEMBL541283

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CC1CC(OC(=O)n2c(=O)[nH]c3ccccc32)CC(C)N1C.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL541283
Phase Preclinical
Structure Type MOL
InChI Key JWOLRXCYNKAXJF-UHFFFAOYSA-N
Parent Compound CHEMBL1190616
Active Moiety CHEMBL1190616
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

303.4
MW (Da)
2.19
ALogP
5
HBA
1
HBD
67.3
PSA (Ų)
0.88
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 C16H22ClN3O3
MW 339.82
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.01

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