Compound Detail
CHEMBL477768
HEMATOXYLONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL477768 |
| Name | HEMATOXYLONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JUJOJJFIOBKCID-MRXNPFEDSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
318.3
MW (Da)
1.06
ALogP
7
HBA
5
HBD
127.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 6.07 | 6.07 | 850.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.21 | 5.21 | 6100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 850.0 | nM | 6.07 | Inhibition of c-Met by ELISA | 18610999 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of c-Src by ELISA | 18610999 |
| Fibroblast growth factor receptor 1 | IC50 | = | 2900.0 | nM | 5.54 | Inhibition of FGFR1 by ELISA | 18610999 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of cKit by ELISA | 18610999 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 6100.0 | nM | 5.21 | Inhibition of KDR by ELISA | 18610999 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18610999 | 10.1021/jm701501x | Proto-oncogene tyrosine-protein kinase Src | 2 |
| 18610999 | 10.1021/jm701501x | Vascular endothelial growth factor receptor 2 | 2 |
| 18610999 | 10.1021/jm701501x | Mast/stem cell growth factor receptor Kit | 2 |
| 18610999 | 10.1021/jm701501x | Fibroblast growth factor receptor 1 | 2 |
| 18610999 | 10.1021/jm701501x | Hepatocyte growth factor receptor | 2 |
| 18610999 | 10.1021/jm701501x | Epidermal growth factor receptor | 1 |
| 18610999 | 10.1021/jm701501x | Fibroblast growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine