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Compound Detail

CHEMBL8352

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COc1cc(CC(C)N)c(OC)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL8352
Phase Preclinical
Structure Type MOL
InChI Key XZYTWVYCADLTTI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

211.3
MW (Da)
1.30
ALogP
4
HBA
2
HBD
64.7
PSA (Ų)
0.79
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 C11H17NO3
MW 211.26
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.80

Literature References

PubMed DOI Target Context # Activities
2308135 10.1021/jm00165a023 Serotonin 2 (5-HT2) receptor 1
18847250 10.1021/jm800771x 5-hydroxytryptamine receptor 2A 1

Data from ChEMBL 36 via Core Engine