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Compound Detail

CHEMBL119462

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

Basic Information

ChEMBL ID CHEMBL119462
Phase Preclinical
Structure Type MOL
InChI Key CSQILNLRNTYHFO-GMRULEOSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

289.4
MW (Da)
0.63
ALogP
3
HBA
2
HBD
89.4
PSA (Ų)
0.80
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 C16H23N3O2
MW 289.38
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.06

Activity Summary

IC50 1 meas. best 4.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
 IC50 4.57 4.57 27000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 27000.0 nM 4.57 Inhibition of [3H]MK-801 binding to N-methyl-D-aspartate glutamate receptor of r... 9719604

Literature References

PubMed DOI Target Context # Activities
9719604 10.1021/jm980238m Glutamate NMDA receptor 1
9719604 10.1021/jm980238m Sodium-dependent serotonin transporter 1

Data from ChEMBL 36 via Core Engine