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

CHEMBL19204

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
CN1CCC(C(=O)c2ccccc2)CC1

Basic Information

ChEMBL ID CHEMBL19204
Phase Preclinical
Structure Type MOL
InChI Key RPLQRYXJBIJBFR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

203.3
MW (Da)
2.21
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H17NO
MW 203.29
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.80

Activity Summary

Ki 1 meas. best 6.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 2A
CHEMBL322
Ki 6.22 6.22 600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 2A Ki = 600.0 nM 6.22 Binding affinity against 5-hydroxytryptamine 2A receptor 7707322

Literature References

PubMed DOI Target Context # Activities
7707322 10.1021/jm00007a016 5-hydroxytryptamine receptor 2A 1
7707322 10.1021/jm00007a016 5-hydroxytryptamine receptor 2C 1
7707322 10.1021/jm00007a016 Serotonin receptor 2a and 2c (5HT2A and 5HT2C) 1

Data from ChEMBL 36 via Core Engine