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

CHEMBL5665430

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
COC1=CC2CN(C)CCC2C=C1

Basic Information

ChEMBL ID CHEMBL5665430
Phase Preclinical
Structure Type MOL
InChI Key KPKMBGVNFQCKEV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

179.3
MW (Da)
1.65
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H17NO
MW 179.26
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness 1.21

Activity Summary

EC50 1 meas. best 5.79

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mas-related G-protein coupled receptor member X2
CHEMBL5849
EC50 5.79 5.79 1621.8 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
28288109 10.1038/nchembio.2334 Mas-related G-protein coupled receptor member X2 2

Data from ChEMBL 36 via Core Engine