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

CHEMBL25547

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
CCN1CCC[C@@H]1CNC(=O)c1c(OC)ccc(Br)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL25547
Phase Preclinical
Structure Type MOL
InChI Key GUJRSXAPGDDABA-LLVKDONJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

371.3
MW (Da)
2.68
ALogP
4
HBA
1
HBD
50.8
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H23BrN2O3
MW 371.28
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.68

Activity Summary

IC50 1 meas. best 4.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dopamine receptor
CHEMBL2093868
 IC50 4.22 4.22 59900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dopamine receptor IC50 = 59900.0 nM 4.22 Antidopamine activity in vitro by ability to displace [3H]spiperone from rat bra... 3941414

Literature References

PubMed DOI Target Context # Activities
3941414 10.1021/jm00151a010 Rattus norvegicus 3
3941414 10.1021/jm00151a010 Dopamine receptor 1

Data from ChEMBL 36 via Core Engine