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Compound Detail

CHEMBL498303

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O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CCC3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL498303
Phase Preclinical
Structure Type MOL
InChI Key GAHCDAQSFPIJLO-DQEYMECFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

435.9
MW (Da)
5.28
ALogP
3
HBA
3
HBD
69.6
PSA (Ų)
0.46
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26ClNO3
MW 435.95
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.50

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