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

CHEMBL5592653

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=C1OC(CCCN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c2ccc(O)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5592653
Phase Preclinical
Structure Type MOL
InChI Key FNZVBUISPZMQED-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

448.4
MW (Da)
3.86
ALogP
5
HBA
1
HBD
70.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23F3N2O4
MW 448.44
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.37

Activity Summary

Ki 1 meas. best 7.49

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 2B
CHEMBL311
 Ki 7.49 7.49 32.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic, NMDA 2B Ki = 32.11 nM 7.49 Displacement of [3H]ifenprodil from rat GluN2B assessed as inhibition constant m... 38413367

Literature References

PubMed DOI Target Context # Activities
38413367 10.1021/acs.jmedchem.3c01524 Glutamate receptor ionotropic, NMDA 2B 1

Data from ChEMBL 36 via Core Engine