Compound Detail
CHEMBL103552
LAVENDUSTIN A Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL103552 |
| Name | LAVENDUSTIN A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ULTTYPMRMMDONC-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
381.4
MW (Da)
3.41
ALogP
6
HBA
5
HBD
121.5
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
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 |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.3 | 5.5033 | 500.0 | 3 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 500.0 | nM | 6.3 | Inhibition of P60cSrc | 18077363 |
| Epidermal growth factor receptor | IC50 | = | 4100.0 | nM | 5.39 | Inhibition of EGF-R Tyrosine kinase (TK) | 7990108 |
| Unchecked | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of epidermal growth factor receptor (EGFR) autophosphorylation | 8105084 |
| Tyrosine-protein kinase Lck | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of p56lck autophosphorylation | 8105084 |
| Unchecked | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of c-erb B-2/HER2/neu receptor | 8105084 |
Literature References
Data from ChEMBL 36 via Core Engine