Compound Detail
CHEMBL2386411
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Basic Information
| ChEMBL ID | CHEMBL2386411 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEVDRQYVQBOZRP-ZIOPAAQOSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
437.5
MW (Da)
4.48
ALogP
6
HBA
0
HBD
57.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 5.69 | 5.69 | 2040.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
| NCI-H1975 CHEMBL614348 | IC50 | 4.95 | 4.95 | 11200.0 | 1 |
| NCI-H1650 CHEMBL1075518 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
| L02 CHEMBL4296457 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 2040.0 | nM | 5.69 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 23611769 |
| NCI-H460 | IC50 | = | 4100.0 | nM | 5.39 | Cytotoxicity against human H460 cells assessed as reduction in cell viability af... | 29655083 |
| A549 | IC50 | = | 4200.0 | nM | 5.38 | Cytotoxicity against human A549 cells assessed as reduction in cell viability af... | 29655083 |
| NCI-H1975 | IC50 | = | 11200.0 | nM | 4.95 | Cytotoxicity against human NCI-H1975 cells assessed as reduction in cell viabili... | 29655083 |
| NCI-H1650 | IC50 | = | 16000.0 | nM | 4.8 | Cytotoxicity against human NCI-H1650 cells assessed as reduction in cell viabili... | 29655083 |
| L02 | IC50 | = | 21000.0 | nM | 4.68 | Cytotoxicity against human HL7702 cells assessed as reduction in cell viability ... | 29655083 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23611769 | 10.1016/j.bmc.2013.03.057 | RAW264.7 | 4 |
| 29655083 | 10.1016/j.ejmech.2018.03.051 | Unchecked | 4 |
| 23611769 | 10.1016/j.bmc.2013.03.057 | Unchecked | 3 |
| 23611769 | 10.1016/j.bmc.2013.03.057 | MAP kinase p38 | 1 |
| 29655083 | 10.1016/j.ejmech.2018.03.051 | NCI-H460 | 1 |
| 29655083 | 10.1016/j.ejmech.2018.03.051 | A549 | 1 |
| 29655083 | 10.1016/j.ejmech.2018.03.051 | NCI-H1650 | 1 |
| 29655083 | 10.1016/j.ejmech.2018.03.051 | NCI-H1975 | 1 |
| 29655083 | 10.1016/j.ejmech.2018.03.051 | L02 | 1 |
Data from ChEMBL 36 via Core Engine