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Compound Detail

CHEMBL145226

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CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1C(N)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL145226
Phase Preclinical
Structure Type MOL
InChI Key KOSGEDAJBHAPOI-OWJBEEKMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
3.51
ALogP
2
HBA
1
HBD
46.3
PSA (Ų)
0.88
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 C21H26N2O
MW 322.45
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.05

Activity Summary

IC50 1 meas. best 4.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
 IC50 4.77 4.77 17000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 17000.0 nM 4.77 Inhibition of [3H]-MK-801 binding to NMDA receptor from rat cerebral cortical sy... 8941398

Literature References

PubMed DOI Target Context # Activities
8941398 10.1021/jm960495w Glutamate NMDA receptor 1
8941398 10.1021/jm960495w Sodium-dependent serotonin transporter 1
8941398 10.1021/jm960495w Unchecked 1

Data from ChEMBL 36 via Core Engine