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Compound Detail

CHEMBL3237355

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CCN(CC)c1ccc(Nc2c3c(nc4cc(Cl)ccc24)CCCC3)cc1

Basic Information

ChEMBL ID CHEMBL3237355
Phase Preclinical
Structure Type MOL
InChI Key FQLWVIFFBOHGML-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

379.9
MW (Da)
6.36
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.56
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26ClN3
MW 379.94
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.41

Activity Summary

EC50 1 meas. best 5.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HT-22
CHEMBL614316
EC50 5.99 5.99 1030.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HT-22 EC50 = 1030.0 nM 5.99 Neuroprotective activity in mouse HT22 cells assessed as protection against glut... 24602904

Literature References

PubMed DOI Target Context # Activities
24602904 10.1016/j.bmcl.2014.02.006 HT-22 2
24602904 10.1016/j.bmcl.2014.02.006 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine