Compound Detail
CHEMBL2387144
J147 Phase I
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Phase I
Basic Information
| ChEMBL ID | CHEMBL2387144 |
| Name | J147 |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | HYMZAYGFKNNHDN-SSDVNMTOSA-N |
4
Targets
6
Activities
1
Assay Types
4
PK Parameters
10
Publications
2
Known Names
1
Indications
Molecular Properties
350.3
MW (Da)
4.24
ALogP
3
HBA
0
HBD
41.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Alzheimer Disease
Activity Summary
EC50 6 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 7.96 | 7.96 | 11.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 7.7 | 7.2933 | 20.0 | 3 |
| HT-22 CHEMBL614316 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
| Cortical neurone CHEMBL5314313 | EC50 | 7.6 | 7.6 | 25.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 2.5 | hr | Mus musculus |
| T1/2 | 2.5 | hr | Mus musculus |
| T1/2 | 0.06667 | hr | Mus musculus |
| T1/2 | 0.075 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 11.0 | nM | 7.96 | Neuroprotective activity in human MC65 cells expressing C-terminal 99 amino acid... | 23582448 |
| HT-22 | EC50 | = | 20.0 | nM | 7.7 | Neuroprotective activity in mouse HT22 cells assessed as reduction in glutamate-... | 23582448 |
| Unchecked | EC50 | = | 20.0 | nM | 7.7 | Binding affinity to mitochondrial ATP5A in mouse HT-22 cells measured after 15 m... | 32942072 |
| Cortical neurone | EC50 | = | 25.0 | nM | 7.6 | Neuroprotective activity against rat Primary cortical neuron cells assessed as r... | 32942072 |
| Unchecked | EC50 | = | 33.0 | nM | 7.48 | Neuroprotective activity in rat primary cortical neurons assessed as reduction i... | 23582448 |
| Unchecked | EC50 | = | 200.0 | nM | 6.7 | Neuroprotective activity against amyloid beta induced cell death in rat Primary ... | 32942072 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23582448 | 10.1016/j.bmc.2013.03.020 | ADMET | 9 |
| 23582448 | 10.1016/j.bmc.2013.03.020 | Liver microsomes | 7 |
| 23582448 | 10.1016/j.bmc.2013.03.020 | Blood | 6 |
| 23582448 | 10.1016/j.bmc.2013.03.020 | Plasma | 3 |
| 32942072 | 10.1016/j.ejmech.2020.112779 | Unchecked | 2 |
| 23582448 | 10.1016/j.bmc.2013.03.020 | HT-22 | 1 |
| 23582448 | 10.1016/j.bmc.2013.03.020 | NON-PROTEIN TARGET | 1 |
| 23582448 | 10.1016/j.bmc.2013.03.020 | Unchecked | 1 |
| 23582448 | 10.1016/j.bmc.2013.03.020 | Liver | 1 |
| 32942072 | 10.1016/j.ejmech.2020.112779 | Cortical neurone | 1 |
Data from ChEMBL 36 via Core Engine