Compound Detail
CHEMBL1927277
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Basic Information
| ChEMBL ID | CHEMBL1927277 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HALLJFAXBUXHHO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
3.20
ALogP
7
HBA
1
HBD
87.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.6 | 5.115 | 2500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of PMA-stimulated pro MMP9 production in human SRA 01/04 cells after ... | 22047798 |
| Unchecked | IC50 | = | 23500.0 | nM | 4.63 | Inhibition of TNFalpha-stimulated pro MMP9 production in human SRA 01/04 cells a... | 22047798 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22047798 | 10.1016/j.bmc.2011.10.001 | Unchecked | 3 |
| 22047798 | 10.1016/j.bmc.2011.10.001 | ADMET | 1 |
| 23199882 | 10.1016/j.bmcl.2012.10.133 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine