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Compound Detail

CHEMBL4448290

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CCn1nc(O)c(CC(N)C(=O)O)n1

Basic Information

ChEMBL ID CHEMBL4448290
Phase Preclinical
Structure Type MOL
InChI Key WDHSKNJWBMQMET-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

200.2
MW (Da)
-1.04
ALogP
6
HBA
3
HBD
114.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H12N4O3
MW 200.20
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.17

Activity Summary

Ki 1 meas. best 4.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor 3
CHEMBL3504
Ki 4.0 4.0 100000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor 3 Ki = 100000.0 nM 4.0 Displacement of (RS)-[3H]AMPA from recombinant rat GluA3 expressed in baculoviru... 30943028

Literature References

PubMed DOI Target Context # Activities
30943028 10.1021/acs.jmedchem.8b01986 Glutamate receptor 2 3
30943028 10.1021/acs.jmedchem.8b01986 Glutamate receptor 4 2
30943028 10.1021/acs.jmedchem.8b01986 Glutamate receptor 3 2
30943028 10.1021/acs.jmedchem.8b01986 Glutamate receptor 1 2
30943028 10.1021/acs.jmedchem.8b01986 Unchecked 1
30943028 10.1021/acs.jmedchem.8b01986 Glutamate receptor ionotropic, AMPA 1
30943028 10.1021/acs.jmedchem.8b01986 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine