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Compound Detail

CHEMBL435755

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O=C(O)[C@@H]1C[C@H]2C[C@@H](Cc3ccccc3-c3nnn[nH]3)CC[C@H]2CN1

Basic Information

ChEMBL ID CHEMBL435755
Phase Preclinical
Structure Type MOL
InChI Key MESSKLFKBDNMEH-UJDVCPFMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
1.89
ALogP
5
HBA
3
HBD
103.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23N5O2
MW 341.42
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.03

Activity Summary

IC50 1 meas. best 4.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 4.33 4.33 46800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic, AMPA IC50 = 46800.0 nM 4.33 Inhibition of [3H]AMPA binding to AMPA receptor of rat brain membranes. -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00185-6 Glutamate receptor ionotropic, AMPA 2
- 10.1016/S0960-894X(97)00185-6 Glutamate NMDA receptor 2

Data from ChEMBL 36 via Core Engine