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Compound Detail

CHEMBL535436

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CC(C)/N=C(/N)c1ccc(N2CCN(c3ccc(/C(N)=N\C(C)C)cc3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL535436
Phase Preclinical
Structure Type MOL
InChI Key MEMITLQACRMQFQ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

406.6
MW (Da)
3.24
ALogP
4
HBA
2
HBD
83.2
PSA (Ų)
0.57
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 C24H34N6
MW 406.58
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.66

Activity Summary

IC50 2 meas. best 4.67

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
 IC50 4.67 4.67 21400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 21400.0 nM 4.67 Displacement of [3H]-MK-801 from rat cortical membranes NMDA receptor by beta co... 26117647

Literature References

PubMed DOI Target Context # Activities
26117647 10.1016/j.bmc.2015.06.012 Glutamate NMDA receptor 4

Data from ChEMBL 36 via Core Engine