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Compound Detail

CHEMBL5422894

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CC1(C)CC(=O)c2ccc(OC[C@@H](O)CNCCc3ccc(S(C)(=O)=O)cc3)cc2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5422894
Phase Preclinical
Structure Type MOL
InChI Key FHOYRLXKRQKLQD-KRWDZBQOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

447.6
MW (Da)
2.41
ALogP
7
HBA
2
HBD
101.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29NO6S
MW 447.55
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.30

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