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Compound Detail

CHEMBL98994

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

Basic Information

ChEMBL ID CHEMBL98994
Phase Preclinical
Structure Type MOL
InChI Key OCYYUEJRVUGFGH-GOEBONIOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

260.4
MW (Da)
2.03
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.85
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 C16H24N2O
MW 260.38
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.13

Activity Summary

IC50 1 meas. best 4.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
 IC50 4.89 4.89 13000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 13000.0 nM 4.89 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