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Compound Detail

CHEMBL527037

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O=C(O)c1ccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CCC3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL527037
Phase Preclinical
Structure Type MOL
InChI Key DYVUJRZDLWHSRJ-DHLKQENFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

451.9
MW (Da)
5.40
ALogP
4
HBA
3
HBD
78.8
PSA (Ų)
0.42
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26ClNO4
MW 451.95
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.51

Literature References

PubMed DOI Target Context # Activities
18651730 10.1021/jm800222k Canis familiaris 2
18651730 10.1021/jm800222k Beta-1 adrenergic receptor 1
18651730 10.1021/jm800222k Beta-3 adrenergic receptor 1
18651730 10.1021/jm800222k Beta-2 adrenergic receptor 1

Data from ChEMBL 36 via Core Engine