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Compound Detail

CHEMBL83923

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CC(=O)N(Cc1cc([N+](=O)[O-])cc2nc(O)c(O)nc12)C(C)P(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL83923
Phase Preclinical
Structure Type MOL
InChI Key OQFWLBJLBWGKJC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

386.3
MW (Da)
0.82
ALogP
8
HBA
4
HBD
187.2
PSA (Ų)
0.33
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H15N4O8P
MW 386.26
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.87

Activity Summary

IC50 1 meas. best 5.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
 IC50 5.89 5.89 1300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic, AMPA IC50 = 1300.0 nM 5.89 In vitro inhibition of binding of [3H]AMPA towards AMPA receptor in rat 10021939

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 receptor ionotropic, NMDA 1 1

Data from ChEMBL 36 via Core Engine