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Compound Detail

CHEMBL342574

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CCCCn1c(=O)c(CC)c(C(=O)NC2CC3CCC(C2)N3C)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL342574
Phase Preclinical
Structure Type MOL
InChI Key KZZFZRAMBJHLRB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

395.6
MW (Da)
3.72
ALogP
4
HBA
1
HBD
54.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H33N3O2
MW 395.55
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.68

Literature References

PubMed DOI Target Context # Activities
1479589 10.1021/jm00104a016 Serotonin 3 (5-HT3) receptor 2

Data from ChEMBL 36 via Core Engine