Compound Detail
CHEMBL3581070
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Basic Information
| ChEMBL ID | CHEMBL3581070 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YANXJXVKFOHHOB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
300.3
MW (Da)
2.59
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BV-2 CHEMBL614781 | IC50 | 5.16 | 5.16 | 6870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BV-2 | IC50 | = | 6870.0 | nM | 5.16 | Antineuroinflammatory activity in mouse BV2 cells assessed as inhibition of LPS-... | 28911817 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28911817 | 10.1016/j.bmcl.2017.08.047 | BV-2 | 2 |
| 25466192 | 10.1016/j.bmcl.2014.11.015 | BV-2 | 1 |
| 25466192 | 10.1016/j.bmcl.2014.11.015 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine