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

CHEMBL417822

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
CC(C#Cc1ccc2[nH]c(O)nc2c1)N1CCC(Cc2ccc(F)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL417822
Phase Preclinical
Structure Type MOL
InChI Key KWTLEMLIWNMMDH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

377.5
MW (Da)
4.10
ALogP
3
HBA
2
HBD
52.1
PSA (Ų)
0.68
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 C23H24FN3O
MW 377.46
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.80

Activity Summary

IC50 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor; Grin1/Grin2b
CHEMBL2096666
 IC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor; Grin1/Grin2b IC50 = 100.0 nM 7.0 Binding affinity against NR1A/2B receptor in rat brains by [3H]ifenprodil displa... 14980668

Literature References

PubMed DOI Target Context # Activities
14980668 10.1016/j.bmcl.2003.12.049 Rattus norvegicus 2
14980668 10.1016/j.bmcl.2003.12.049 Glutamate NMDA receptor; Grin1/Grin2b 1

Data from ChEMBL 36 via Core Engine