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Compound Detail

CHEMBL44059

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CC(C)(C)Cc1onc(OCP(=O)(O)O)c1CC(N)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL44059
Phase Preclinical
Structure Type MOL
InChI Key ZQTKYLKUTZLDEU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

336.3
MW (Da)
0.73
ALogP
6
HBA
4
HBD
156.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H21N2O7P
MW 336.28
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.12

Activity Summary

IC50 1 meas. best 4.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
 IC50 4.46 4.46 35000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic, AMPA IC50 = 35000.0 nM 4.46 In vitro inhibition of [3H]CNQX binding to Ionotropic glutamate receptor AMPA. 8648608

Literature References

PubMed DOI Target Context # Activities
8648608 10.1021/jm950826p Glutamate receptor ionotropic, AMPA 3
8648608 10.1021/jm950826p Glutamate NMDA receptor 1
8648608 10.1021/jm950826p Glutamate receptor ionotropic, kainate 1

Data from ChEMBL 36 via Core Engine