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

CHEMBL22366

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(Cc1cccc2ccccc12)N1CCC(CNCCCCNCCN2CCCCC2)CC1

Basic Information

ChEMBL ID CHEMBL22366
Phase Preclinical
Structure Type MOL
InChI Key KRSXCQRTAPETOU-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

464.7
MW (Da)
4.07
ALogP
4
HBA
2
HBD
47.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H44N4O
MW 464.70
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.97

Activity Summary

IC50 2 meas. best 6.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 6.72 6.72 190.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11551773 10.1016/s0960-894x(01)00530-3 Glutamate receptor ionotropic, AMPA 1
11551773 10.1016/s0960-894x(01)00530-3 Rattus norvegicus 1
11551773 10.1016/s0960-894x(01)00530-3 No relevant target 1
11392532 10.1016/s0960-894x(01)00170-6 Glutamate receptor ionotropic, AMPA 1
11392532 10.1016/s0960-894x(01)00170-6 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine