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

CHEMBL303126

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
O=C(O)C1CC2CC(Cc3nnn[nH]3)CCC2CN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL303126
Phase Preclinical
Structure Type MOL
InChI Key ACTONBBIVMTUAJ-UHFFFAOYSA-N
2
Targets
11
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

265.3
MW (Da)
0.22
ALogP
5
HBA
3
HBD
103.8
PSA (Ų)
0.72
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 C12H19N5O2
MW 265.32
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.21

Activity Summary

IC50 11 meas. best 6.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
 IC50 6.38 5.55 420.0 6
Rattus norvegicus
CHEMBL376
 IC50 6.09 5.406 820.0 5

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 420.0 nM 6.38 Inhibition of [3H]-CGS- 19755 binding to rat brain membrane NMDA receptor -
Rattus norvegicus IC50 = 820.0 nM 6.09 Compound was tested for relative potency as NMDA antagonist by determining its a... -
Glutamate NMDA receptor IC50 = 940.0 nM 6.03 Inhibition of [3H]-CGS- 19755 binding to rat brain membrane NMDA receptor -
Rattus norvegicus IC50 = 1390.0 nM 5.86 Compound was tested for relative potency as NMDA antagonist by determining its a... -
Glutamate NMDA receptor IC50 = 3320.0 nM 5.48 Inhibition of [3H]-CGS- 19755 binding to rat brain membrane NMDA receptor -
Glutamate NMDA receptor IC50 = 3410.0 nM 5.47 Inhibition of [3H]-CGS- 19755 binding to rat brain membrane NMDA receptor -
Rattus norvegicus IC50 = 4800.0 nM 5.32 Compound was tested for relative potency as NMDA antagonist by determining its a... -
Glutamate NMDA receptor IC50 = 5160.0 nM 5.29 Inhibition of [3H]-CGS- 19755 binding to rat brain membrane NMDA receptor -
Rattus norvegicus IC50 = 6200.0 nM 5.21 Compound was tested for relative potency as NMDA antagonist by determining its a... -
Glutamate NMDA receptor IC50 = 22600.0 nM 4.65 Inhibition of [3H]-CGS- 19755 binding to rat brain membrane NMDA receptor -
Rattus norvegicus IC50 = 28000.0 nM 4.55 Compound was tested for relative potency as NMDA antagonist by determining its a... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)81017-9 Glutamate NMDA receptor 6
- 10.1016/S0960-894X(01)81017-9 Rattus norvegicus 6
- 10.1016/S0960-894X(01)81017-9 Mus musculus 6
1404235 10.1021/jm00097a012 Glutamate NMDA receptor 2
1404235 10.1021/jm00097a012 Unchecked 2
1404235 10.1021/jm00097a012 Mus musculus 2

Data from ChEMBL 36 via Core Engine