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Compound Detail

CHEMBL31179

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CCNC1CCc2ccc(OC)c(OC)c2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL31179
Phase Preclinical
Structure Type MOL
InChI Key YCQIFXUHWHYOES-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

235.3
MW (Da)
2.17
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.87
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 C14H21NO2
MW 235.33
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.30

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