Compound Detail
CHEMBL3358806
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Basic Information
| ChEMBL ID | CHEMBL3358806 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDBDADAPEFSDHG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
256.3
MW (Da)
3.52
ALogP
4
HBA
2
HBD
62.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HMC1 CHEMBL4296432 | IC50 | 5.4 | 5.4 | 4020.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HMC1 | IC50 | = | 4020.0 | nM | 5.4 | Inhibition of A23187-induced IL-6 production in human HMC1 cells incubated for 3... | 25467151 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25467151 | 10.1016/j.bmcl.2014.10.077 | HMC1 | 1 |
| 25467151 | 10.1016/j.bmcl.2014.10.077 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine