Compound Detail
CHEMBL519982
ALTERNARIOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL519982 |
| Name | ALTERNARIOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEBXXEKPIIDJHL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
258.2
MW (Da)
2.37
ALogP
5
HBA
3
HBD
90.9
PSA (Ų)
0.43
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase CLK2 CHEMBL4225 | IC50 | 6.15 | 6.15 | 707.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 4.29 | 4.29 | 51400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase CLK2 | IC50 | = | 707.0 | nM | 6.15 | Inhibition of CLK2 (unknown origin) incubated for 60 mins by ADP-Glo reagent bas... | 36745746 |
| RAW264.7 | IC50 | = | 51400.0 | nM | 4.29 | Antiinflammatory activity in mouse RAW 264.7 cells assessed as inhibition of LPS... | 35007071 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27441892 | 10.1021/acs.jnatprod.6b00327 | NON-PROTEIN TARGET | 8 |
| 27441892 | 10.1021/acs.jnatprod.6b00327 | Bacillus subtilis | 2 |
| 27441892 | 10.1021/acs.jnatprod.6b00327 | Xanthomonas euvesicatoria | 2 |
| 27441892 | 10.1021/acs.jnatprod.6b00327 | Agrobacterium tumefaciens | 2 |
| 18494522 | 10.1021/np070447m | Aurora kinase B | 2 |
| 31136174 | 10.1021/acs.jnatprod.9b00290 | HepG2 | 2 |
| 18494522 | 10.1021/np070447m | Receptor-type tyrosine-protein kinase FLT3 | 2 |
| 27441892 | 10.1021/acs.jnatprod.6b00327 | Staphylococcus haemolyticus | 2 |
| 18494522 | 10.1021/np070447m | L5178Y | 2 |
| 18494522 | 10.1021/np070447m | Vascular endothelial growth factor receptor 2 | 2 |
| 27441892 | 10.1021/acs.jnatprod.6b00327 | Pseudomonas amygdali pv. lachrymans | 2 |
| 18494522 | 10.1021/np070447m | Insulin-like growth factor 1 receptor | 2 |
| 18494522 | 10.1021/np070447m | Ephrin type-B receptor 4 | 1 |
| 36745746 | 10.1021/acs.jmedchem.2c01523 | Dual specificity protein kinase CLK2 | 1 |
| 18494522 | 10.1021/np070447m | Focal adhesion kinase 1 | 1 |
| 18494522 | 10.1021/np070447m | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 18494522 | 10.1021/np070447m | Mitogen-activated protein kinase kinase kinase 8 | 1 |
| 18494522 | 10.1021/np070447m | Cyclin-dependent kinase 4/cyclin D1 | 1 |
| 18494522 | 10.1021/np070447m | Serine/threonine-protein kinase B-raf | 1 |
| 18494522 | 10.1021/np070447m | Aurora kinase A | 1 |
Data from ChEMBL 36 via Core Engine