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Compound Detail

CHEMBL16315

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O=C(O)C1CC2CC(CCc3nnn[nH]3)CCC2CN1

Basic Information

ChEMBL ID CHEMBL16315
Phase Preclinical
Structure Type MOL
InChI Key ZXFRFPSZAKNPQQ-UHFFFAOYSA-N
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

279.3
MW (Da)
0.61
ALogP
5
HBA
3
HBD
103.8
PSA (Ų)
0.75
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 C13H21N5O2
MW 279.34
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.22

Activity Summary

IC50 7 meas. best 5.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 5.85 5.535 1400.0 4
Glutamate NMDA receptor
CHEMBL1907608
IC50 4.92 4.57 12100.0 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00185-6 Glutamate receptor ionotropic, AMPA 4
- 10.1016/S0960-894X(97)00185-6 Glutamate NMDA receptor 4

Data from ChEMBL 36 via Core Engine