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Compound Detail

CHEMBL148209

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CN1C2CCC1CC(NC(=O)c1cc(=O)n(C)c3ccccc13)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL148209
Phase Preclinical
Structure Type MOL
InChI Key VHMWWDVNCUMUQE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
1.89
ALogP
4
HBA
1
HBD
54.3
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 C19H23N3O2
MW 325.41
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.74

Literature References

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

Data from ChEMBL 36 via Core Engine