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

CHEMBL107055

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
C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(Cc2ccccc2)CC1

Basic Information

ChEMBL ID CHEMBL107055
Phase Preclinical
Structure Type MOL
InChI Key FMCPCSGAJIHZSJ-OXJNMPFZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
2.88
ALogP
4
HBA
3
HBD
63.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H27NO3
MW 341.45
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.33

Activity Summary

IC50 1 meas. best 7.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
IC50 7.24 7.24 58.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7636876 10.1021/jm00016a017 Glutamate NMDA receptor 1
7636876 10.1021/jm00016a017 Adrenergic receptor alpha-1 1
7636876 10.1021/jm00016a017 Unchecked 1

Data from ChEMBL 36 via Core Engine