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Compound Detail

CHEMBL310892

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O=C(O)C1CCN(Cc2cc([N+](=O)[O-])cc3nc(O)c(O)nc23)CC1

Basic Information

ChEMBL ID CHEMBL310892
Phase Preclinical
Structure Type MOL
InChI Key WIWBGWRWQPAKBS-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

348.3
MW (Da)
1.25
ALogP
8
HBA
3
HBD
149.9
PSA (Ų)
0.55
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 C15H16N4O6
MW 348.32
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.20

Activity Summary

IC50 2 meas. best 7.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 7.16 7.16 70.0 1
Glutamate NMDA receptor
CHEMBL1907608
IC50 5.41 5.41 3900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10021939 10.1016/s0960-894x(98)00720-3 Glutamate receptor ionotropic, AMPA 1
10021939 10.1016/s0960-894x(98)00720-3 Glutamate NMDA receptor 1
10021939 10.1016/s0960-894x(98)00720-3 Mus musculus 1

Data from ChEMBL 36 via Core Engine