Compound Detail
CHEMBL476124
CYCLAPOLIN 9 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL476124 |
| Name | CYCLAPOLIN 9 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHFLXKUKCSDMLD-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
307.2
MW (Da)
1.56
ALogP
5
HBA
1
HBD
113.2
PSA (Ų)
0.39
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK1 CHEMBL3024 | IC50 | 6.3 | 5.96 | 500.0 | 2 |
| HeLa CHEMBL399 | IC50 | 5.18 | 5.18 | 6600.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 5.11 | 5.11 | 7700.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.61 | 4.61 | 24800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK1 | IC50 | = | 500.0 | nM | 6.3 | Inhibition of Plk1 | 17028581 |
| Serine/threonine-protein kinase PLK1 | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of PLK1 | 18762425 |
| HeLa | IC50 | = | 6600.0 | nM | 5.18 | Cytotoxicity against human HeLa cells assessed as mitotic progression after 72 h... | 17028581 |
| HT-29 | IC50 | = | 7700.0 | nM | 5.11 | Cytotoxicity against human HT-29 cells assessed as mitotic progression after 72 ... | 17028581 |
| A549 | IC50 | = | 24800.0 | nM | 4.61 | Cytotoxicity against human A549 cells assessed as mitotic progression after 72 h... | 17028581 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17028581 | 10.1038/nchembio825 | Unchecked | 6 |
| 34046598 | 10.1039/d0md00390e | Mycobacterium tuberculosis | 2 |
| 17028581 | 10.1038/nchembio825 | Cyclin-dependent kinase 2/cyclin E1 | 2 |
| 17028581 | 10.1038/nchembio825 | Tyrosine-protein kinase CSK | 1 |
| 17028581 | 10.1038/nchembio825 | Dual specificity mitogen-activated protein kinase kinase 6 | 1 |
| 17028581 | 10.1038/nchembio825 | Dual specificity mitogen-activated protein kinase kinase 1 | 1 |
| 17028581 | 10.1038/nchembio825 | MAP kinase-activated protein kinase 2 | 1 |
| 17028581 | 10.1038/nchembio825 | Mitogen-activated protein kinase 9 | 1 |
| 17028581 | 10.1038/nchembio825 | Insulin receptor | 1 |
| 17028581 | 10.1038/nchembio825 | Inhibitor of nuclear factor kappa-B kinase subunit alpha | 1 |
| 17028581 | 10.1038/nchembio825 | Insulin-like growth factor 1 receptor | 1 |
| 17028581 | 10.1038/nchembio825 | Fibroblast growth factor receptor 3 | 1 |
| 18762425 | 10.1016/j.bmcl.2008.08.033 | Serine/threonine-protein kinase PLK1 | 1 |
| 17028581 | 10.1038/nchembio825 | Serine/threonine-protein kinase Chk2 | 1 |
| 17028581 | 10.1038/nchembio825 | Serine/threonine-protein kinase Chk1 | 1 |
| 17028581 | 10.1038/nchembio825 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
| 17028581 | 10.1038/nchembio825 | HT-29 | 1 |
| 17028581 | 10.1038/nchembio825 | HeLa | 1 |
| 17028581 | 10.1038/nchembio825 | A549 | 1 |
| 17028581 | 10.1038/nchembio825 | Serine/threonine-protein kinase PLK1 | 1 |
Data from ChEMBL 36 via Core Engine