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Compound Detail

CHEMBL31098

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COc1cc2c(cc1OC)CC(N)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL31098
Phase Preclinical
Structure Type MOL
InChI Key OVSNYLXMTWOUKT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

207.3
MW (Da)
1.52
ALogP
3
HBA
1
HBD
44.5
PSA (Ų)
0.80
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 C12H17NO2
MW 207.27
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.54

Literature References

PubMed DOI Target Context # Activities
6120238 10.1021/jm00344a009 Unchecked 1
6120238 10.1021/jm00344a009 Adrenergic receptor alpha-1 1

Data from ChEMBL 36 via Core Engine