Compound Detail
CHEMBL76589
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Basic Information
| ChEMBL ID | CHEMBL76589 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXVJRTIPBNBLLB-BJMVGYQFSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
236.2
MW (Da)
1.56
ALogP
5
HBA
2
HBD
117.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.0 | 6.95 | 100.0 | 2 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.9 | 4.9 | 12589.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 100.0 | nM | 7.0 | Inhibition of EGFR in human A431 cells | 1479375 |
| Epidermal growth factor receptor | IC50 | = | 125.0 | nM | 6.9 | Inhibitory concentration of EGF dependent autophosphorylation of epidermal growt... | 2552117 |
| Plasmodium falciparum | IC50 | = | 12589.25 | nM | 4.9 | Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR g... | 19734910 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23398362 | 10.1042/bj20121418 | Insulin-like growth factor 1 receptor | 4 |
| 23398362 | 10.1042/bj20121418 | cGMP-dependent protein kinase 1 | 4 |
| 23398362 | 10.1042/bj20121418 | Insulin receptor | 4 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase HCK | 4 |
| 23398362 | 10.1042/bj20121418 | Cyclin-dependent kinase 5/CDK5 activator 1 | 4 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase mTOR | 4 |
| 23398362 | 10.1042/bj20121418 | Protein kinase C beta type | 4 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase Lck | 4 |
| 23398362 | 10.1042/bj20121418 | Inhibitor of nuclear factor kappa-B kinase subunit alpha | 2 |
| 23398362 | 10.1042/bj20121418 | Fibroblast growth factor receptor 3 | 2 |
| 23398362 | 10.1042/bj20121418 | Ephrin type-A receptor 4 | 2 |
| 23398362 | 10.1042/bj20121418 | Death-associated protein kinase 1 | 2 |
| 23398362 | 10.1042/bj20121418 | Calcium/calmodulin-dependent protein kinase type 1D | 2 |
| 23398362 | 10.1042/bj20121418 | Casein kinase I isoform delta | 2 |
| 23398362 | 10.1042/bj20121418 | Casein kinase I isoform gamma-3 | 2 |
| 23398362 | 10.1042/bj20121418 | Cyclin-dependent kinase 2/cyclin E | 2 |
| 23398362 | 10.1042/bj20121418 | 3-phosphoinositide-dependent protein kinase 1 | 2 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase Nek7 | 2 |
| 23398362 | 10.1042/bj20121418 | SRSF protein kinase 3 | 2 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase MARK1 | 2 |
Data from ChEMBL 36 via Core Engine