Compound Detail
CHEMBL89863
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Basic Information
| ChEMBL ID | CHEMBL89863 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BACZPDDISHCEER-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
461.7
MW (Da)
7.03
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.18
QED
1
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytosolic phospholipase A2 CHEMBL2907 | IC50 | 4.98 | 4.98 | 10500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytosolic phospholipase A2 | IC50 | = | 10500.0 | nM | 4.98 | Effect on cytosolic Phospholipase A2 (PLA2) activity at a concentration of 100 u... | 10698455 |
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 |
| 19703769 | 10.1016/j.bmcl.2009.07.147 | Mycobacterium tuberculosis | 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 |
Data from ChEMBL 36 via Core Engine