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Compound Detail

CHEMBL1096355

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CC(C)c1ccc(CN2CCN(Cc3cc(C(C)C)ccc(O)c3=O)CC2)c(=O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1096355
Phase Preclinical
Structure Type MOL
InChI Key YBQUUSDEWWPZGD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

438.6
MW (Da)
3.38
ALogP
6
HBA
2
HBD
81.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H34N2O4
MW 438.57
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.11

Activity Summary

EC50 1 meas. best 6.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HT-22
CHEMBL614316
 EC50 6.04 6.04 920.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HT-22 EC50 = 920.0 nM 6.04 Neuroprotective activity against glutamate-mediated oxidative stress-induced cel... 20045220

Literature References

PubMed DOI Target Context # Activities
20045220 10.1016/j.ejmech.2009.12.006 HT-22 3

Data from ChEMBL 36 via Core Engine