Compound Detail
CHEMBL5595264
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Basic Information
| ChEMBL ID | CHEMBL5595264 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCTZZCYHCHVQHR-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
3.27
ALogP
7
HBA
3
HBD
105.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-G-associated kinase CHEMBL4355 | EC50 | 7.4 | 7.4 | 40.0 | 1 |
| Ephrin type-A receptor 4 CHEMBL3988 | EC50 | 6.6 | 6.6 | 250.0 | 1 |
| Ephrin type-A receptor 2 CHEMBL2068 | EC50 | 6.36 | 6.36 | 440.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | EC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | EC50 | 5.12 | 5.12 | 7500.0 | 1 |
| Tyrosine-protein kinase ABL1 CHEMBL1862 | EC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-G-associated kinase | EC50 | = | 40.0 | nM | 7.4 | Inhibition of full length GAK (unknown origin) expressed in HEK293T cells using ... | 39028937 |
| Ephrin type-A receptor 4 | EC50 | = | 250.0 | nM | 6.6 | Inhibition of full length EPHA4 (unknown origin) expressed in HEK293T cells usin... | 39028937 |
| Ephrin type-A receptor 2 | EC50 | = | 440.0 | nM | 6.36 | Inhibition of full length EPHA2 (unknown origin) expressed in HEK293T cells usin... | 39028937 |
| Fibroblast growth factor receptor 1 | EC50 | = | 2000.0 | nM | 5.7 | Inhibition of full length FGFR1 (unknown origin) expressed in HEK293T cells usin... | 39028937 |
| Vascular endothelial growth factor receptor 1 | EC50 | = | 7500.0 | nM | 5.12 | Inhibition of full length FLT1 (unknown origin) expressed in HEK293T cells using... | 39028937 |
| Tyrosine-protein kinase ABL1 | EC50 | = | 30000.0 | nM | 4.52 | Inhibition of full length ABL1 (unknown origin) expressed in HEK293T cells using... | 39028937 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39028937 | 10.1021/acs.jmedchem.4c00411 | Ephrin type-A receptor 2 | 2 |
| 39028937 | 10.1021/acs.jmedchem.4c00411 | Ephrin type-A receptor 4 | 2 |
| 39028937 | 10.1021/acs.jmedchem.4c00411 | Fibroblast growth factor receptor 1 | 2 |
| 39028937 | 10.1021/acs.jmedchem.4c00411 | Vascular endothelial growth factor receptor 1 | 2 |
| 39028937 | 10.1021/acs.jmedchem.4c00411 | Cyclin-G-associated kinase | 2 |
| 39028937 | 10.1021/acs.jmedchem.4c00411 | dengue virus type 2 | 2 |
| 39028937 | 10.1021/acs.jmedchem.4c00411 | Ephrin type-A receptor 5 | 1 |
| 39028937 | 10.1021/acs.jmedchem.4c00411 | Ephrin type-A receptor 7 | 1 |
| 39028937 | 10.1021/acs.jmedchem.4c00411 | Ephrin type-B receptor 1 | 1 |
| 39028937 | 10.1021/acs.jmedchem.4c00411 | Ephrin type-B receptor 3 | 1 |
| 39028937 | 10.1021/acs.jmedchem.4c00411 | Fibroblast growth factor receptor 2 | 1 |
| 39028937 | 10.1021/acs.jmedchem.4c00411 | Tyrosine-protein kinase ABL1 | 1 |
| 39028937 | 10.1021/acs.jmedchem.4c00411 | Huh-7 | 1 |
Data from ChEMBL 36 via Core Engine