Compound Detail
CHEMBL439675
LYCOGARUBIN B Enter ChEMBL ID:
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COC(=O)c1[nH]c(C(=O)OC)c(-c2c[nH]c3ccc(O)cc23)c1-c1c[nH]c2ccccc12
Basic Information
| ChEMBL ID | CHEMBL439675 |
| Name | LYCOGARUBIN B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZBJDRXMLSSPCV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
429.4
MW (Da)
4.59
ALogP
5
HBA
4
HBD
120.2
PSA (Ų)
0.31
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcription factor HES-1 CHEMBL1075292 | IC50 | 4.78 | 4.78 | 16500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcription factor HES-1 | IC50 | = | 16500.0 | nM | 4.78 | Inhibition of Cy3-labeled mouse recombinant Hes1 (3-281) dimer formation express... | 19716294 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15911254 | 10.1016/j.bmcl.2005.03.103 | Proto-oncogene tyrosine-protein kinase Src | 3 |
| 15911254 | 10.1016/j.bmcl.2005.03.103 | cAMP-dependent protein kinase (PKA) | 3 |
| 15911254 | 10.1016/j.bmcl.2005.03.103 | Epidermal growth factor receptor | 3 |
| 15911254 | 10.1016/j.bmcl.2005.03.103 | Vascular endothelial growth factor receptor 1 | 3 |
| 15911254 | 10.1016/j.bmcl.2005.03.103 | Eukaryotic elongation factor 2 kinase | 3 |
| 15911254 | 10.1016/j.bmcl.2005.03.103 | Protein kinase C (PKC) | 3 |
| 21625478 | 10.1371/journal.pone.0019825 | Polymerase acidic protein | 2 |
| 15911254 | 10.1016/j.bmcl.2005.03.103 | Jurkat | 1 |
| 15911254 | 10.1016/j.bmcl.2005.03.103 | KB 3-1 | 1 |
| 19716294 | 10.1016/j.bmcl.2009.07.146 | Transcription factor HES-1 | 1 |
Data from ChEMBL 36 via Core Engine