Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3742451

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cn1nnc(O)c1CC(N)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3742451
Phase Preclinical
Structure Type MOL
InChI Key TYIWZXWKUZWIIO-UHFFFAOYSA-N
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

186.2
MW (Da)
-1.52
ALogP
6
HBA
3
HBD
114.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H10N4O3
MW 186.17
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.36

Activity Summary

Ki 5 meas. best 5.85
EC50 2 meas. best 4.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic AMPA
CHEMBL2096670
 Ki 5.85 5.85 1400.0 1
Glutamate receptor 2
CHEMBL3503
 Ki 5.73 5.73 1870.0 1
Glutamate receptor 4
CHEMBL3505
 Ki 5.39 5.39 4080.0 1
Glutamate receptor 3
CHEMBL3504
 Ki 5.3 5.3 4980.0 1
Glutamate receptor 1
CHEMBL3753
 Ki 4.8 4.8 15700.0 1
Glutamate receptor 4
CHEMBL3190
 EC50 4.26 4.255 55000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic AMPA Ki = 1400.0 nM 5.85 Binding affinity to AMPA receptor (unknown origin) assessed as inhibition consta... 38699796
Glutamate receptor 2 Ki = 1870.0 nM 5.73 Displacement of (RS)-[3H]AMPA from recombinant rat GluA2(R) expressed in baculov... 30943028
Glutamate receptor 4 Ki = 4080.0 nM 5.39 Displacement of (RS)-[3H]AMPA from recombinant rat GluA4 expressed in baculoviru... 30943028
Glutamate receptor 3 Ki = 4980.0 nM 5.3 Displacement of (RS)-[3H]AMPA from recombinant rat GluA3 expressed in baculoviru... 30943028
Glutamate receptor 1 Ki = 15700.0 nM 4.8 Displacement of (RS)-[3H]AMPA from recombinant rat GluA1 expressed in baculoviru... 30943028
Glutamate receptor 4 EC50 = 55000.0 nM 4.26 Agonist activity at GluA4 receptor (unknown origin) expressed in HEK293 cells as... 30943028
Glutamate receptor 4 EC50 = 56234.13 nM 4.25 Agonist activity at GluA4 receptor (unknown origin) expressed in HEK293 cells as... 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 3
30943028 10.1021/acs.jmedchem.8b01986 Glutamate receptor 1 2
30943028 10.1021/acs.jmedchem.8b01986 Glutamate receptor 3 2
28462834 10.1016/j.bmcl.2017.02.028 No relevant target 1
30943028 10.1021/acs.jmedchem.8b01986 Glutamate receptor ionotropic, AMPA 1
38699796 10.1021/acs.jmedchem.4c00652 Glutamate receptor ionotropic AMPA 1
38699796 10.1021/acs.jmedchem.4c00652 Glutamate [NMDA] receptor 1
38699796 10.1021/acs.jmedchem.4c00652 Unchecked 1

Data from ChEMBL 36 via Core Engine