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Compound Detail

CHEMBL85203

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

Basic Information

ChEMBL ID CHEMBL85203
Phase Preclinical
Structure Type MOL
InChI Key WOAGSQCIFSCNIH-ZETCQYMHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

372.3
MW (Da)
1.29
ALogP
8
HBA
4
HBD
170.2
PSA (Ų)
0.33
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H17N4O7P
MW 372.27
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.00

Activity Summary

IC50 1 meas. best 6.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
 IC50 6.51 6.51 310.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic, AMPA IC50 = 310.0 nM 6.51 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
10021939 10.1016/s0960-894x(98)00720-3 Mus musculus 1

Data from ChEMBL 36 via Core Engine