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

CHEMBL345223

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
CCCc1cc(C)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL345223
Phase Preclinical
Structure Type MOL
InChI Key BHRRLHBGKIMHGD-HNNXBMFYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

334.5
MW (Da)
2.88
ALogP
4
HBA
2
HBD
61.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H30N2O3
MW 334.46
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.34

Activity Summary

IC50 1 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dopamine receptor
CHEMBL2093868
 IC50 8.3 8.3 5.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dopamine receptor IC50 = 5.0 nM 8.3 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 Dopamine receptor 1

Data from ChEMBL 36 via Core Engine