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Compound Detail

CHEMBL3237356

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Clc1ccc2c(Nc3ccccc3)ccnc2c1

Basic Information

ChEMBL ID CHEMBL3237356
Phase Preclinical
Structure Type MOL
InChI Key GIOODPXVUBAVRK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

254.7
MW (Da)
4.63
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H11ClN2
MW 254.72
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.30

Activity Summary

EC50 1 meas. best 5.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HT-22
CHEMBL614316
EC50 5.59 5.59 2540.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HT-22 EC50 = 2540.0 nM 5.59 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