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Compound Detail

CHEMBL31542

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CCOC(=O)C(NCC(O)COc1ccc(CCC(=O)OC)cc1)C(=O)OCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL31542
Phase Preclinical
Structure Type MOL
InChI Key QRAIKLUFCJMUNA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

411.4
MW (Da)
0.62
ALogP
9
HBA
2
HBD
120.4
PSA (Ų)
0.27
QED
0
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H29NO8
MW 411.45
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness -0.21

Literature References

PubMed DOI Target Context # Activities
6130154 10.1021/jm00354a003 Beta-1 adrenergic receptor 1

Data from ChEMBL 36 via Core Engine