Compound Detail
CHEMBL4572792
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Basic Information
| ChEMBL ID | CHEMBL4572792 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNLQEBDVRLUWCK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
312.3
MW (Da)
4.01
ALogP
5
HBA
1
HBD
64.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.92 | 5.92 | 1200.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.02667 | hr | Homo sapiens |
| T1/2 | 0.025 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1200.0 | nM | 5.92 | Activation of NF-KappaB (unknown origin) expressed in SH-SY5Y cells co-transfect... | 31857831 |
| Unchecked | EC50 | = | 1200.0 | nM | 5.92 | 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 | Unchecked | 3 |
| 31857831 | 10.1021/acsmedchemlett.9b00504 | Unchecked | 2 |
| 33139114 | 10.1016/j.ejmech.2020.112952 | ADMET | 2 |
| 33139114 | 10.1016/j.ejmech.2020.112952 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine