Compound Detail
CHEMBL1829656
PTEROLINUS K Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1829656 |
| Name | PTEROLINUS K |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKGJEHWLTNMFNY-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
406.4
MW (Da)
3.84
ALogP
7
HBA
2
HBD
102.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.0 | 5.4433 | 990.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 990.0 | nM | 6.0 | Antiinflammatory activity in human neutrophils assessed as inhibition of fMLP/CB... | 21784631 |
| NON-PROTEIN TARGET | IC50 | = | 4240.0 | nM | 5.37 | Antiinflammatory activity in human neutrophils assessed as inhibition of fMLP/CB... | 21784631 |
| NON-PROTEIN TARGET | IC50 | = | 10860.0 | nM | 4.96 | Cytotoxicity against human Hep3B cells | 21784631 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21784631 | 10.1016/j.bmcl.2011.06.036 | NON-PROTEIN TARGET | 4 |
| 21784631 | 10.1016/j.bmcl.2011.06.036 | A549 | 1 |
| 21784631 | 10.1016/j.bmcl.2011.06.036 | DU-145 | 1 |
| 21784631 | 10.1016/j.bmcl.2011.06.036 | KB | 1 |
| 21784631 | 10.1016/j.bmcl.2011.06.036 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine