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Compound Detail

CHEMBL154184

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CCCC(=O)NC(Cc1ccc(O)cc1)C(O)NCCCNCCCCCCCCN

Basic Information

ChEMBL ID CHEMBL154184
Phase Preclinical
Structure Type MOL
InChI Key JTDSKKPKSNZTHK-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

436.6
MW (Da)
2.41
ALogP
6
HBA
6
HBD
119.6
PSA (Ų)
0.15
QED
1
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H44N4O3
MW 436.64
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness 0.31

Activity Summary

Ki 3 meas. best 6.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor 1
CHEMBL2009
Ki 6.46 5.775 350.0 2
Unchecked
CHEMBL612545
Ki 6.05 6.05 900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12477358 10.1021/jm020314s Unchecked 3
12477358 10.1021/jm020314s Glutamate receptor 1 2

Data from ChEMBL 36 via Core Engine