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

CHEMBL100561

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
CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1CN(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL100561
Phase Preclinical
Structure Type MOL
InChI Key NMRSWXVEITZBIQ-DOTOQJQBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

274.4
MW (Da)
2.37
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H26N2O
MW 274.41
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.23

Activity Summary

IC50 1 meas. best 4.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
 IC50 4.06 4.06 88000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 88000.0 nM 4.06 Inhibition of [3H]MK-801 binding to NMDA receptor of rat cerebral cortical synap... 7636857

Literature References

PubMed DOI Target Context # Activities
7636857 10.1021/jm00015a019 Mus musculus 2
7636857 10.1021/jm00015a019 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine