Compound Detail
CHEMBL1688351
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Basic Information
| ChEMBL ID | CHEMBL1688351 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSLTXDDPGLKZEV-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
441.4
MW (Da)
4.13
ALogP
9
HBA
3
HBD
123.0
PSA (Ų)
0.36
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.9
EC50 1 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A-431 CHEMBL614069 | EC50 | 7.47 | 7.47 | 34.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.9 | 5.9 | 1250.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A-431 | EC50 | = | 34.0 | nM | 7.47 | Cell cycle arrest in human A431 cells assessed as accumulation at G2/M phase aft... | 24900236 |
| Unchecked | IC50 | = | 1250.0 | nM | 5.9 | Inhibition of bovine tubulin polymerization after 30 mins by turbidity assay | 24900236 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of VEGFR-2 kinase assessed as phosphorylated level of pGAT-biotin pep... | 24900236 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900236 | 10.1021/ml1001568 | Vascular endothelial growth factor receptor 2 | 2 |
| 24900236 | 10.1021/ml1001568 | Unchecked | 1 |
| 24900236 | 10.1021/ml1001568 | A-431 | 1 |
Data from ChEMBL 36 via Core Engine