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Compound Detail

CHEMBL433452

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O=C(N[C@H]1CN2CCC1CC2)c1cccc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL433452
Phase Preclinical
Structure Type MOL
InChI Key UANSQQFYKHHDJM-KRWDZBQOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

280.4
MW (Da)
2.66
ALogP
2
HBA
1
HBD
32.3
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 C18H20N2O
MW 280.37
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.57

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80017-7 Serotonin 3 (5-HT3) receptor 1

Data from ChEMBL 36 via Core Engine