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

CHEMBL156974

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
COc1ccc(N)c(C(=O)CCN)c1

Basic Information

ChEMBL ID CHEMBL156974
Phase Preclinical
Structure Type MOL
InChI Key DFZXDYZPSYJYBU-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

194.2
MW (Da)
0.81
ALogP
4
HBA
2
HBD
78.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H14N2O2
MW 194.23
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.13

Activity Summary

Ki 2 meas. best 6.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 6.46 6.46 345.0 1
Serotonin 2 (5-HT2) receptor
CHEMBL2093870
Ki 5.07 5.07 8480.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
3701781 10.1021/jm00155a008 Unchecked 1
3701781 10.1021/jm00155a008 Serotonin 2 (5-HT2) receptor 1

Data from ChEMBL 36 via Core Engine