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Compound Detail

CHEMBL434652

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CN1C2CCC1CC(NC(=O)c1ccnc3ccccc13)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL434652
Phase Preclinical
Structure Type MOL
InChI Key UQQUBZJNCFEXFB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

295.4
MW (Da)
2.59
ALogP
3
HBA
1
HBD
45.2
PSA (Ų)
0.93
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 C18H21N3O
MW 295.39
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.83

Literature References

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

Data from ChEMBL 36 via Core Engine