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Compound Detail

CHEMBL213090

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CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCNCCCCCCCCCCCCN

Basic Information

ChEMBL ID CHEMBL213090
Phase Preclinical
Structure Type MOL
InChI Key QLTKHQBBVFTAHY-NDEPHWFRSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

518.8
MW (Da)
4.96
ALogP
5
HBA
5
HBD
116.5
PSA (Ų)
0.12
QED
1
Ro5 Violations
24
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H54N4O3
MW 518.79
Aromatic Rings 1
Heavy Atoms 37
NP-Likeness 0.02

Activity Summary

Ki 3 meas. best 7.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor 1
CHEMBL3753
Ki 7.11 6.3133 77.0 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16942015 10.1021/jm060606j Glutamate receptor 1 3
16942015 10.1021/jm060606j Glutamate receptor ionotropic, AMPA 1

Data from ChEMBL 36 via Core Engine