Compound Detail
CHEMBL1688352
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Basic Information
| ChEMBL ID | CHEMBL1688352 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VONBBGSUHPATAK-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
452.5
MW (Da)
4.81
ALogP
9
HBA
2
HBD
107.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.66
EC50 1 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A-431 CHEMBL614069 | EC50 | 7.75 | 7.75 | 18.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.66 | 6.59 | 220.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.84 | 5.84 | 1450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A-431 | EC50 | = | 18.0 | nM | 7.75 | Cell cycle arrest in human A431 cells assessed as accumulation at G2/M phase aft... | 24900236 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 220.0 | nM | 6.66 | Inhibition of VEGFR2 expressed HEK293 cells | 24900236 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 300.0 | nM | 6.52 | Inhibition of VEGFR-2 kinase assessed as phosphorylated level of pGAT-biotin pep... | 24900236 |
| Unchecked | IC50 | = | 1450.0 | nM | 5.84 | Inhibition of bovine tubulin polymerization after 30 mins by turbidity assay | 24900236 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900236 | 10.1021/ml1001568 | Unchecked | 2 |
| 24900236 | 10.1021/ml1001568 | Vascular endothelial growth factor receptor 2 | 2 |
| 24900236 | 10.1021/ml1001568 | A-431 | 1 |
| 24900236 | 10.1021/ml1001568 | Cyclin-dependent kinase 1 | 1 |
| 24900236 | 10.1021/ml1001568 | Aurora kinase A | 1 |
| 24900236 | 10.1021/ml1001568 | Serine/threonine-protein kinase PLK1 | 1 |
Data from ChEMBL 36 via Core Engine