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

CHEMBL1393473

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
COc1ccc(C(c2nnnn2CCc2ccccc2)N2CCN(C)CC2)cc1OC

Basic Information

ChEMBL ID CHEMBL1393473
Phase Preclinical
Structure Type MOL
InChI Key VFMUGBFABSUSKZ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

422.5
MW (Da)
2.27
ALogP
8
HBA
0
HBD
68.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H30N6O2
MW 422.53
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.52

Activity Summary

EC50 2 meas. best 6.88

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Excitatory amino acid transporter 3
CHEMBL2721
EC50 6.88 6.88 132.0 1
Excitatory amino acid transporter 1
CHEMBL3085
EC50 6.88 6.88 132.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38626917 10.1021/acs.jmedchem.3c01909 Excitatory amino acid transporter 3 1
38626917 10.1021/acs.jmedchem.3c01909 Excitatory amino acid transporter 1 1
38626917 10.1021/acs.jmedchem.3c01909 Excitatory amino acid transporter 2 1
38626917 10.1021/acs.jmedchem.3c01909 No relevant target 1

Data from ChEMBL 36 via Core Engine