Compound Detail
CHEMBL89561
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Basic Information
| ChEMBL ID | CHEMBL89561 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSSGHXKKSRGNSV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
371.6
MW (Da)
4.81
ALogP
3
HBA
3
HBD
86.6
PSA (Ų)
0.28
QED
0
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Jurkat CHEMBL397 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Jurkat | IC50 | = | 24000.0 | nM | 4.62 | Inhibitory concentration required for 50% apoptosis induction was evaluated usin... | 12182874 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11844694 | 10.1016/s0960-894x(01)00837-x | Leishmania amazonensis | 4 |
| 11844694 | 10.1016/s0960-894x(01)00837-x | Leishmania braziliensis | 4 |
| 11844694 | 10.1016/s0960-894x(01)00837-x | Leishmania donovani | 4 |
| 10698455 | 10.1016/s0960-894x(99)00680-0 | Cytosolic phospholipase A2 | 2 |
| 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 |
| 22119463 | 10.1016/j.bmcl.2011.10.108 | Trypanosoma brucei rhodesiense | 1 |
Data from ChEMBL 36 via Core Engine