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Compound Detail

CHEMBL508710

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Cn1c(=O)c2c(ncn2CCCC(=O)N2CCCCC2=O)n(C)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL508710
Phase Preclinical
Structure Type MOL
InChI Key VRGZQXNSCCJLKX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
-0.25
ALogP
8
HBA
0
HBD
99.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H21N5O4
MW 347.38
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.37

Activity Summary

EC50 1 meas. best 7.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hippocampus
CHEMBL613631
 EC50 7.22 7.22 60.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hippocampus EC50 = 60.0 nM 7.22 Decrease in amplitude of populations spikes in Sprague-Dawley rat hippocampal CA... 18676148

Literature References

PubMed DOI Target Context # Activities
18676148 10.1016/j.bmc.2008.07.045 Hippocampus 6

Data from ChEMBL 36 via Core Engine