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Compound Detail

CHEMBL5395675

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COC(=O)[C@H](N)Cc1ccc(OC[C@@H](O)CNCC2COc3ccccc3O2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5395675
Phase Preclinical
Structure Type MOL
InChI Key OZDNSEXMSBSOOY-DDPXNHEPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

416.5
MW (Da)
0.90
ALogP
8
HBA
3
HBD
112.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28N2O6
MW 416.47
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.13

Literature References

PubMed DOI Target Context # Activities
36495629 10.1016/j.ejmech.2022.114961 Beta-1 adrenergic receptor 1
36495629 10.1016/j.ejmech.2022.114961 Beta-2 adrenergic receptor 1
36495629 10.1016/j.ejmech.2022.114961 Beta-3 adrenergic receptor 1

Data from ChEMBL 36 via Core Engine