Compound Detail
CHEMBL3401941
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Basic Information
| ChEMBL ID | CHEMBL3401941 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANDBYPZRFZDSHU-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
5.11
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.66
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.75
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 17700.0 | nM | 4.75 | Inhibition of TNFalpha production in mouse RAW264.7 cells incubated for 6 hrs by... | 25824662 |
| J774.A1 | IC50 | = | 18200.0 | nM | 4.74 | Inhibition of TNFalpha production in mouse J774A.1 cells incubated for 6 hrs by ... | 25824662 |
| J774.A1 | IC50 | = | 25500.0 | nM | 4.59 | Inhibition of LPS-induced nitric oxide production in mouse J774A.1 cells pre-inc... | 25824662 |
| RAW264.7 | IC50 | = | 28200.0 | nM | 4.55 | Inhibition of LPS-induced nitric oxide production in mouse RAW264.7 cells pre-in... | 25824662 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25824662 | 10.1016/j.bmcl.2015.03.025 | RAW264.7 | 5 |
| 25824662 | 10.1016/j.bmcl.2015.03.025 | J774.A1 | 4 |
| 25824662 | 10.1016/j.bmcl.2015.03.025 | Rattus norvegicus | 4 |
| 25824662 | 10.1016/j.bmcl.2015.03.025 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine