Compound Detail
CHEMBL4129983
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Basic Information
| ChEMBL ID | CHEMBL4129983 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEEDEKWKJVUWGA-YKXBDCQTSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
327.3
MW (Da)
1.92
ALogP
4
HBA
4
HBD
106.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase, inducible CHEMBL4481 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| BV-2 CHEMBL614781 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase, inducible | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of LPS-induced iNOS in human BV2 cells after 4 hrs by DAF-FMDA dye-ba... | 29626798 |
| BV-2 | IC50 | = | 3400.0 | nM | 5.47 | Anti-neuroinflammatory activity in human BV2 cells assessed as reduction in LPS-... | 29626798 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29626798 | 10.1016/j.ejmech.2018.03.081 | BV-2 | 3 |
| 29706525 | 10.1016/j.bmc.2018.04.044 | Amyloid-beta precursor protein | 2 |
| 29626798 | 10.1016/j.ejmech.2018.03.081 | Nitric oxide synthase, inducible | 1 |
Data from ChEMBL 36 via Core Engine