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Compound Detail

CHEMBL155485

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CNC(=O)Nc1ccc2c(c1)Cc1c-2nc(O)c2nccn12

Basic Information

ChEMBL ID CHEMBL155485
Phase Preclinical
Structure Type MOL
InChI Key SOXAQSNKOQZEFX-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

295.3
MW (Da)
1.76
ALogP
5
HBA
3
HBD
91.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13N5O2
MW 295.30
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.28

Activity Summary

IC50 2 meas. best 7.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 7.75 7.75 18.0 1
Glutamate NMDA receptor
CHEMBL1907608
IC50 4.0 4.0 100000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10741560 10.1016/s0960-894x(00)00054-8 Glutamate receptor ionotropic, AMPA 1
10741560 10.1016/s0960-894x(00)00054-8 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine