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Compound Detail

CHEMBL315827

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COc1ccc(OC)c(C2CN(C)CCO2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL315827
Phase Preclinical
Structure Type MOL
InChI Key DVXQSNMMHRXOCX-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

237.3
MW (Da)
1.71
ALogP
4
HBA
0
HBD
30.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H19NO3
MW 237.30
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.43

Activity Summary

Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
6827543 10.1021/jm00356a026 Adrenergic receptor alpha-1 3

Data from ChEMBL 36 via Core Engine