Compound Detail
CHEMBL221473
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Basic Information
| ChEMBL ID | CHEMBL221473 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQIFHAGEERVOKJ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
4.72
ALogP
5
HBA
0
HBD
45.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.27
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HUVEC | IC50 | = | 540.0 | nM | 6.27 | Cytotoxicity against HUVEC after 72 hrs by crystal violet staining | 19954252 |
| HUVEC | IC50 | = | 28300.0 | nM | 4.55 | Cytotoxicity against HUVEC after 1 hr by crystal violet staining | 19954252 |
| HUVEC | IC50 | = | 41500.0 | nM | 4.38 | Vascular disrupting activity in HUVEC assessed as change in cell morphology with... | 19954252 |
| Unchecked | IC50 | = | 41500.0 | nM | 4.38 | Inhibition of bovine brain microtubule polymerization measured up to 30 mins | 30396033 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19954252 | 10.1021/jm900968s | HUVEC | 5 |
| 16950621 | 10.1016/j.bmcl.2006.08.087 | ADMET | 2 |
| 16950621 | 10.1016/j.bmcl.2006.08.087 | HCC 2998 | 1 |
| 16950621 | 10.1016/j.bmcl.2006.08.087 | HCT-15 | 1 |
| 16950621 | 10.1016/j.bmcl.2006.08.087 | NCI-H460 | 1 |
| 19954252 | 10.1021/jm900968s | HCT-15 | 1 |
| 19954252 | 10.1021/jm900968s | NCI-H460 | 1 |
| 19954252 | 10.1021/jm900968s | NON-PROTEIN TARGET | 1 |
| 30396033 | 10.1016/j.ejmech.2018.10.054 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine