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

CHEMBL283426

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
COC(=O)COc1cccc2c(CC(C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL283426
Phase Preclinical
Structure Type MOL
InChI Key GBDSYNHPPHBHMR-PKDNWHCCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

416.9
MW (Da)
3.63
ALogP
5
HBA
3
HBD
83.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25ClN2O4
MW 416.90
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.67

Activity Summary

EC50 1 meas. best 9.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-3 adrenergic receptor
CHEMBL246
 EC50 9.04 9.04 0.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Beta-3 adrenergic receptor EC50 = 0.92 nM 9.04 Agonism of recombinant human beta-3 adrenergic receptor assayed by measuring cAM... 12657269

Literature References

PubMed DOI Target Context # Activities
12657269 10.1016/s0960-894x(03)00073-8 Beta-3 adrenergic receptor 2

Data from ChEMBL 36 via Core Engine