Compound Detail
CHEMBL2441195
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Basic Information
| ChEMBL ID | CHEMBL2441195 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJYCMKNVXQUMPE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
6
PK Parameters
4
Publications
0
Known Names
Molecular Properties
267.4
MW (Da)
4.26
ALogP
4
HBA
1
HBD
37.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.32 | 6.32 | 480.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 48.62 | nM | Mus musculus |
| F | 5.34 | % | Mus musculus |
| T1/2 | 0.1683 | hr | Homo sapiens |
| T1/2 | 0.04667 | hr | Mus musculus |
| T1/2 | 0.36 | hr | Mus musculus |
| T1/2 | 1.92 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 480.0 | nM | 6.32 | Activation of NF-KappaB (unknown origin) expressed in SH-SY5Y cells co-transfect... | 33139114 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33139114 | 10.1016/j.ejmech.2020.112952 | ADMET | 6 |
| 24075144 | 10.1016/j.bmc.2013.08.048 | Mycobacterium tuberculosis | 3 |
| 33139114 | 10.1016/j.ejmech.2020.112952 | Unchecked | 3 |
| 33139114 | 10.1016/j.ejmech.2020.112952 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine