Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL7739

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC(C)NCC(O)COC(=O)c1ccc2ccccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL7739
Phase Preclinical
Structure Type MOL
InChI Key QPDSYCQHSWVZPU-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

287.4
MW (Da)
2.36
ALogP
4
HBA
2
HBD
58.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21NO3
MW 287.36
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.19

Activity Summary

Kd 2 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Adrenergic receptor beta
CHEMBL2094118
 Kd 6.6 6.5 251.2 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Adrenergic receptor beta Kd = 251.19 nM 6.6 In vitro blocking of beta adrenergic receptor in guinea pig trachea 6146718
Adrenergic receptor beta Kd = 398.11 nM 6.4 In Vitro inhibition of the beta adrenergic receptor in guinea pig atria 6146718

Literature References

PubMed DOI Target Context # Activities
6146718 10.1021/jm00374a013 Adrenergic receptor beta 2
6146718 10.1021/jm00374a013 Canis familiaris 2
6146718 10.1021/jm00374a013 Unchecked 1

Data from ChEMBL 36 via Core Engine