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Compound Detail

CHEMBL1951863

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CC(C)Oc1cc(-c2ccc(N(C)C)cc2)nc2ccccc12

Basic Information

ChEMBL ID CHEMBL1951863
Phase Preclinical
Structure Type MOL
InChI Key LZCHVOKXAAYWSS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

306.4
MW (Da)
4.76
ALogP
3
HBA
0
HBD
25.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N2O
MW 306.41
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.09

Activity Summary

EC50 1 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HT-22
CHEMBL614316
EC50 7.3 7.3 50.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HT-22 EC50 = 50.0 nM 7.3 Neuroprotective activity in mouse HT22 cells assessed as reduction in IAA-induce... 22192055

Literature References

PubMed DOI Target Context # Activities
22192055 10.1021/jm2012563 HT-22 2
22192055 10.1021/jm2012563 PC-12 1
22192055 10.1021/jm2012563 N9 1
22192055 10.1021/jm2012563 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine