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Compound Detail

CHEMBL1159826

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Cc1onc(O)c1Cn1oc(C)c(CC(N)C(=O)O)c1=O

Basic Information

ChEMBL ID CHEMBL1159826
Phase Preclinical
Structure Type MOL
InChI Key JVQZIHGOCREKGE-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

297.3
MW (Da)
-0.25
ALogP
8
HBA
3
HBD
144.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15N3O6
MW 297.27
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.15

Activity Summary

IC50 3 meas. best 4.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic AMPA
CHEMBL2096670
IC50 4.92 4.92 12000.0 1
Unchecked
CHEMBL612545
IC50 4.54 4.54 29000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1825114 10.1021/jm00105a019 Glutamate receptor ionotropic AMPA 4
1825114 10.1021/jm00105a019 Unchecked 1

Data from ChEMBL 36 via Core Engine