Compound Detail
CHEMBL1807491
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Basic Information
| ChEMBL ID | CHEMBL1807491 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFVPNDADRDUDMC-NVNXTCNLSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
3.02
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.98
EC50 1 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SARS-CoV-2 CHEMBL4303835 | EC50 | 5.55 | 5.55 | 2800.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 4.98 | 4.715 | 10530.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SARS-CoV-2 | EC50 | = | 2800.0 | nM | 5.55 | Antiviral activity against SARS-CoV-2 B.1 lineage isolate infected in human Calu... | 37257024 |
| RAW264.7 | IC50 | = | 10530.0 | nM | 4.98 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 21723122 |
| RAW264.7 | IC50 | = | 35820.0 | nM | 4.45 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 21723122 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21723122 | 10.1016/j.bmcl.2011.05.117 | RAW264.7 | 3 |
| 37257024 | 10.1021/acs.jnatprod.3c00249 | SARS-CoV-2 | 3 |
| 37257024 | 10.1021/acs.jnatprod.3c00249 | Calu-3 | 2 |
| 25768702 | 10.1016/j.ejmech.2015.02.055 | Cholinesterase | 1 |
| 25768702 | 10.1016/j.ejmech.2015.02.055 | Acetylcholinesterase | 1 |
| 37257024 | 10.1021/acs.jnatprod.3c00249 | ADMET | 1 |
| 38911152 | 10.1039/d3md00360d | Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 | 1 |
Data from ChEMBL 36 via Core Engine