Compound Detail
CHEMBL1278226
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Basic Information
| ChEMBL ID | CHEMBL1278226 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKGJZNRUAGQIRY-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
314.3
MW (Da)
2.89
ALogP
6
HBA
2
HBD
89.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.85
EC50 1 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | EC50 | 5.47 | 5.47 | 3417.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 4.85 | 4.655 | 14010.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | EC50 | = | 3417.0 | nM | 5.47 | Agonist activity at rat DAT expressed in CHO cells | 20971650 |
| RAW264.7 | IC50 | = | 14010.0 | nM | 4.85 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 28408221 |
| RAW264.7 | IC50 | = | 34830.0 | nM | 4.46 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 28408221 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28408221 | 10.1016/j.bmcl.2017.03.057 | RAW264.7 | 3 |
| 20971650 | 10.1016/j.bmc.2010.09.049 | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine