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

CHEMBL4279816

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
CCC12CC3CC(N)(C1)CC(O[N+](=O)[O-])(C3)C2

Basic Information

ChEMBL ID CHEMBL4279816
Phase Preclinical
Structure Type MOL
InChI Key KLJYFWSBHZTKDU-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

240.3
MW (Da)
2.02
ALogP
4
HBA
1
HBD
78.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H20N2O3
MW 240.30
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 0.28

Activity Summary

EC50 3 meas. best 4.81

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 1
CHEMBL330
EC50 4.81 4.81 15360.0 1
Cerebellar granule neurone
CHEMBL614452
EC50 4.81 4.81 15360.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
30108699 10.1039/C6MD00509H Aorta 3
30108699 10.1039/C6MD00509H Cerebellar granule neurone 2

Data from ChEMBL 36 via Core Engine