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Compound Detail

CHEMBL1951865

CMS-121
Phase I
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Phase I
Oc1ccc(-c2cc(OC3CCCC3)c3ccccc3n2)cc1O

Basic Information

ChEMBL ID CHEMBL1951865
Name CMS-121
Phase Phase I
Structure Type MOL
InChI Key OMHNVUCFPJJLKD-UHFFFAOYSA-N

Known Names

Cms-121 CMS121
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
2
Known Names
1
Indications

Molecular Properties

321.4
MW (Da)
4.63
ALogP
4
HBA
2
HBD
62.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C20H19NO3
MW 321.38
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 0.19

Indications

Alzheimer Disease

Activity Summary

EC50 1 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HT-22
CHEMBL614316
EC50 8.15 8.15 7.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HT-22 EC50 = 7.0 nM 8.15 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 3
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