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Compound Detail

CHEMBL267086

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COc1cccc2c1C1CCN(CCc3ccccc3)[C@@H]1CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL267086
Phase Preclinical
Structure Type MOL
InChI Key PPFLJANGUQOHFJ-MUMRKEEXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

307.4
MW (Da)
4.04
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25NO
MW 307.44
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.17

Literature References

PubMed DOI Target Context # Activities
8097537 10.1021/jm00060a014 5-hydroxytryptamine receptor 1A 1
8097537 10.1021/jm00060a014 D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine