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Compound Detail

CHEMBL152153

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

Basic Information

ChEMBL ID CHEMBL152153
Phase Preclinical
Structure Type MOL
InChI Key HZZMUVQZHXBSFB-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

434.6
MW (Da)
2.61
ALogP
5
HBA
5
HBD
116.5
PSA (Ų)
0.23
QED
0
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H42N4O3
MW 434.63
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness 0.03

Activity Summary

Ki 3 meas. best 6.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor 1
CHEMBL2009
Ki 6.33 6.33 468.0 1
Unchecked
CHEMBL612545
Ki 6.1 5.645 800.0 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 2

Data from ChEMBL 36 via Core Engine