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Compound Detail

CHEMBL4760851

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C=CCOc1ccc2oc(CC)cc2c1[C@@H]1C[C@H]1CN.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4760851
Phase Preclinical
Structure Type MOL
InChI Key UXEFZEYHZIIDPC-STEACBGWSA-N
Parent Compound CHEMBL4803083
Active Moiety CHEMBL4803083
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

271.4
MW (Da)
3.62
ALogP
3
HBA
1
HBD
48.4
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22ClNO2
MW 307.82
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.42

Literature References

PubMed DOI Target Context # Activities
27726356 10.1021/acs.jmedchem.6b01194 5-hydroxytryptamine receptor 2C 5
27726356 10.1021/acs.jmedchem.6b01194 5-hydroxytryptamine receptor 2B 5
27726356 10.1021/acs.jmedchem.6b01194 5-hydroxytryptamine receptor 2A 5

Data from ChEMBL 36 via Core Engine