Compound Detail
CHEMBL86528
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Basic Information
| ChEMBL ID | CHEMBL86528 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMPVPXCPOKBOON-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
341.6
MW (Da)
6.61
ALogP
2
HBA
2
HBD
32.3
PSA (Ų)
0.24
QED
1
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Jurkat CHEMBL397 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Jurkat | IC50 | = | 6000.0 | nM | 5.22 | Inhibitory concentration required for 50% apoptosis induction was evaluated usin... | 12182874 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17000108 | 10.1016/j.bmcl.2006.08.113 | NON-PROTEIN TARGET | 2 |
| 17000108 | 10.1016/j.bmcl.2006.08.113 | ADMET | 2 |
| 17000108 | 10.1016/j.bmcl.2006.08.113 | Macrophage | 2 |
| 12182874 | 10.1016/s0960-894x(02)00476-6 | Jurkat | 1 |
| 17000108 | 10.1016/j.bmcl.2006.08.113 | Lymphocyte | 1 |
Data from ChEMBL 36 via Core Engine