Compound Detail
CHEMBL1370490
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Basic Information
| ChEMBL ID | CHEMBL1370490 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDSREUCDDPLFPK-FPLPWBNLSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
346.2
MW (Da)
3.99
ALogP
4
HBA
1
HBD
47.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | EC50 | 7.02 | 7.02 | 96.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.3 | 6.3 | 500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear factor NF-kappa-B complex | EC50 | = | 96.0 | nM | 7.02 | PUBCHEM_BIOASSAY: Name: High Throughput Screen to Identify Compounds that increa... | - |
| Unchecked | EC50 | = | 500.0 | nM | 6.3 | Activation of NF-KappaB (unknown origin) expressed in SH-SY5Y cells co-transfect... | 31857831 |
| Unchecked | EC50 | = | 500.0 | nM | 6.3 | Activation of NF-kappaB (unknown origin) | 31928838 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31857831 | 10.1021/acsmedchemlett.9b00504 | ADMET | 3 |
| 31857831 | 10.1021/acsmedchemlett.9b00504 | Unchecked | 2 |
| 31928838 | 10.1016/j.bmcl.2020.126950 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine