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Compound Detail

CHEMBL345521

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NCCCNCCCCCCCCNC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccn1

Basic Information

ChEMBL ID CHEMBL345521
Phase Preclinical
Structure Type MOL
InChI Key UUENLGZBDUCLPK-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

469.6
MW (Da)
2.52
ALogP
6
HBA
5
HBD
129.4
PSA (Ų)
0.23
QED
0
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H39N5O3
MW 469.63
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.34

Activity Summary

Ki 2 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor 1
CHEMBL2009
Ki 6.89 6.83 130.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12477358 10.1021/jm020314s Glutamate receptor 1 2
12477358 10.1021/jm020314s Unchecked 1

Data from ChEMBL 36 via Core Engine