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Compound Detail

CHEMBL25687

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O=C(O)c1cn2c3c(nc(O)c2n1)-c1cccc(CP(=O)(O)O)c1C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL25687
Phase Preclinical
Structure Type MOL
InChI Key HUVYSPNFUQVXSP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

361.2
MW (Da)
1.38
ALogP
6
HBA
4
HBD
145.2
PSA (Ų)
0.40
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 C15H12N3O6P
MW 361.25
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.16

Activity Summary

IC50 1 meas. best 6.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
 IC50 6.23 6.23 586.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic, AMPA IC50 = 586.0 nM 6.23 Affinity towards Ionotropic glutamate receptor AMPA using [3H]AMPA as ligand on ... 11206442

Literature References

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

Data from ChEMBL 36 via Core Engine