Compound Detail
CHEMBL1829657
PTEROLINUS L Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1829657 |
| Name | PTEROLINUS L |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LHLLBACWHOWRGG-HWKANZROSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
316.3
MW (Da)
2.72
ALogP
6
HBA
3
HBD
96.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.02 | 5.1167 | 950.0 | 3 |
| KB CHEMBL398 | IC50 | 4.76 | 4.76 | 17180.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.69 | 4.69 | 20350.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.66 | 4.66 | 21870.0 | 1 |
| DU-145 CHEMBL613508 | IC50 | 4.53 | 4.53 | 29810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 950.0 | nM | 6.02 | Antiinflammatory activity in human neutrophils assessed as inhibition of fMLP/CB... | 21784631 |
| KB | IC50 | = | 17180.0 | nM | 4.76 | Cytotoxicity against human KB cells | 21784631 |
| HepG2 | IC50 | = | 20350.0 | nM | 4.69 | Cytotoxicity against human HepG2 cells | 21784631 |
| NON-PROTEIN TARGET | IC50 | = | 20850.0 | nM | 4.68 | Cytotoxicity against human Hep3B cells | 21784631 |
| A549 | IC50 | = | 21870.0 | nM | 4.66 | Cytotoxicity against human A549 cells | 21784631 |
| NON-PROTEIN TARGET | IC50 | = | 22410.0 | nM | 4.65 | Cytotoxicity against human KBVIN cells | 21784631 |
| DU-145 | IC50 | = | 29810.0 | nM | 4.53 | Cytotoxicity against human DU145 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 |
| 21784631 | 10.1016/j.bmcl.2011.06.036 | Neutrophil | 1 |
Data from ChEMBL 36 via Core Engine