Compound Detail
CHEMBL85107
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Basic Information
| ChEMBL ID | CHEMBL85107 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPWBUPLVHPUUBF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
370.4
MW (Da)
3.68
ALogP
6
HBA
1
HBD
100.3
PSA (Ų)
0.22
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CHO-AA8 CHEMBL614555 | IC50 | 4.08 | 4.08 | 84000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CHO-AA8 | IC50 | = | 84000.0 | nM | 4.08 | Inhibitory activity against aerobic growth of AA8 cells. | 8691448 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8691448 | 10.1021/jm9600104 | CHO-AA8 | 2 |
| 8691448 | 10.1021/jm9600104 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine