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Compound Detail

CHEMBL25529

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O=P(O)(O)c1cn2c3c(nc(O)c2n1)-c1cccc(Cc2nn[nH]n2)c1C3

Basic Information

ChEMBL ID CHEMBL25529
Phase Preclinical
Structure Type MOL
InChI Key LWLAOBAISBHIQP-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

385.3
MW (Da)
-0.09
ALogP
8
HBA
4
HBD
162.4
PSA (Ų)
0.31
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12N7O4P
MW 385.28
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.38

Activity Summary

IC50 3 meas. best 8.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 8.22 8.055 6.0 2
Glutamate NMDA receptor
CHEMBL1907608
IC50 5.63 5.63 2360.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11206442 10.1016/s0960-894x(00)00592-8 Mus musculus 3
11206442 10.1016/s0960-894x(00)00592-8 Glutamate receptor ionotropic, AMPA 2
11206442 10.1016/s0960-894x(00)00592-8 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine