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Compound Detail

CHEMBL144255

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CNCCN1CCN(CCNC)CC1

Basic Information

ChEMBL ID CHEMBL144255
Phase Preclinical
Structure Type MOL
InChI Key MJLJCXIJHSVEOY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

200.3
MW (Da)
-0.96
ALogP
4
HBA
2
HBD
30.5
PSA (Ų)
0.58
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 C10H24N4
MW 200.33
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness -0.65

Activity Summary

EC50 1 meas. best 4.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
EC50 4.19 4.19 64500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor EC50 = 64500.0 nM 4.19 Ability to enhance [3H]MK-801 binding to NMDA receptors in rat forebrain membran... 8523402

Literature References

PubMed DOI Target Context # Activities
8523402 10.1021/jm00025a006 Glutamate NMDA receptor 2

Data from ChEMBL 36 via Core Engine